Characterization of emission properties of Er3+ ions in TeO2-CdF2-WO3 glasses.

PubMed

Bilir, G; Mustafaoglu, N; Ozen, G; DiBartolo, B

2011-12-01

TeO(2)-CdF(2)-WO(3) glasses with various compositions and Er(3+) concentrations were prepared by conventional melting method. Their optical properties were studied by measuring the absorption, luminescence spectra and the decay patterns at room temperature. From the optical absorption spectra the Judd-Ofelt parameters (Ω(t)), transition probabilities, branching ratios of various transitions, and radiative lifetimes were calculated. The absorption and emission cross-section spectra of the (4)I(15/2) to (4)I(13/2) transition of erbium were determined. Emission quantum efficiencies and the average critical distance R(0) which provides a measure for the strength of cross relaxation were determined. Copyright © 2011 Elsevier B.V. All rights reserved.

Improvement of Er 3+ emissions in oxyfluoride glass ceramic nano-composite by thermal treatment

NASA Astrophysics Data System (ADS)

Chen, Daqin; Wang, Yuansheng; Yu, Yunlong; Ma, En

2006-05-01

In order to improve the 1.53 μm emission of Er 3+-doped oxyfluoride glass ceramic containing CaF 2 nano-crystals, series of samples with same Er 3+ doping lever thermal treated under different conditions were prepared. The UV-VIR-NIR absorption spectra, near-infrared and up-conversion emission spectra, and 4I13/2 decay curves were measured. Based on Judd-Ofelt theory, the radiative transition probability, fluorescence branching ratio and radiative decay time of various metastable transitions of precursor glass and glass ceramics were evaluated. With the increasing of heating temperature, the Judd-Ofelt intensity parameter Ω2 monotonously decreased from 4.39×10 -20 to 2.72×10 -20 cm 2; the emission lifetime and quantum efficiency significantly increased from 5.9 to 8.0 ms and 70% to 98%, respectively. The wavelength dependence of gain cross-sections of oxyfluoride glass and glass ceramics were computed to be relatively flat in the range of 1530-1565 nm for population inversion from 0.7 to 1.0.

Effect of alkaline earth oxides on the physical and spectroscopic properties of Dy3+- doped Li2O-B2O3 glasses for white emitting material application

NASA Astrophysics Data System (ADS)

Shamshad, L.; Rooh, G.; Kirdsiri, K.; Srisittipokakun, N.; Damdee, B.; Kim, H. J.; Kaewkhao, J.

2017-02-01

Li2O-MO-B2O3:0.5Dy2O3 glasses mixed with four different alkaline earth modifier oxides MgO, CaO, SrO and BaO were synthesized by melt quench technique. Their physical properties like density, molar volume and refractive index were measured at room temperature and the effect of alkaline earth modifier oxides were studied. Also, optical absorption and photoluminescence spectra of these glasses have been acquired at room temperature. The Judd-Ofelt theory was effectively used to characterize these spectra and spectral intensities (ƒcal), Judd-Ofelt intensity parameters (Ω2, Ω4 and Ω6) and certain radiative properties have been determined. Radiative life-times (τR), branching ratios (βcal), and emission cross-sections (σp) and optical gain parameters (σp × τR) were calculated from the Judd-Ofelt intensity parameters and the variation in these parameters with the variation of glass matrix are discussed. Yellow/Blue (Y/B) ratio and chromacity color coordinates (x,y) are calculated from the emission spectra which indicates the white light generation from all the investigated samples. The correlated color temperature (CCT) for the studied glasses is found to be 4418 K. The fluorescence decay time (τexp) of the 4F9/2 level of Dy3+ has been measured from the decay profiles and compared with calculated lifetimes (τcal). Among all the studied glass matrices, the glass containing BaO exhibits high value of branching ratio, large emission cross-section and high optical gain parameter for 6F9/2 → 6H13 at 575 nm. The results indicates the suitability of all the studied glasses for laser action and white light generation.

Rare-Earth Ion-Host Lattice Interactions: 15. Analysis of the Spectra of Nd3+ in Gd3Sc2Ga3O12.

DTIC Science & Technology

1984-05-01

Luminescence of Cr3+ Ions in Gadolinium Gallium and Gadolinium Scandium Gallium Garnet CT’stals, Soy. J. Quant. Electron. 12 (1982), 1124. 6M. Dutoit, J. C...Shcherbakov, Absolute Quantum Efficiency of the Luminescence of Cr3+ Ions in Gadolinium Gallium and Gadolinium Scandium Gallium Garnet Crystals, Soy. J...HDL Project: 324332 19. KEY WORDS (Continue on reverse side it necessary end Identify by block number) Rare earth Mixed garnet Spectra Laser Judd-Ofelt

Computation of energy interaction parameters as well as electric dipole intensity parameters for the absorption spectral study of the interaction of Pr(III) with L-phenylalanine, L-glycine, L-alanine and L-aspartic acid in the presence and absence of Ca 2+ in organic solvents

NASA Astrophysics Data System (ADS)

Moaienla, T.; Singh, Th. David; Singh, N. Rajmuhon; Devi, M. Indira

2009-10-01

Studying the absorption difference and comparative absorption spectra of the interaction of Pr(III) and Nd(III) with L-phenylalanine, L-glycine, L-alanine and L-aspartic acid in the presence and absence of Ca 2+ in organic solvents, various energy interaction parameters like Slater-Condon ( FK), Racah ( Ek), Lande factor ( ξ4f), nephelauxetic ratio ( β), bonding ( b1/2), percentage-covalency ( δ) have been evaluated applying partial and multiple regression analysis. The values of oscillator strength ( P) and Judd-Ofelt electric dipole intensity parameter Tλ ( λ = 2, 4, 6) for different 4f-4f transitions have been computed. On analysis of the variation of the various energy interaction parameters as well as the changes in the oscillator strength ( P) and Tλ values reveal the mode of binding with different ligands.

Radiative and Nonradiative Transitions of the Rare-Earth Ions Tm(3+) and Ho(3+) in Y3AI5O12 and LiYF4

NASA Technical Reports Server (NTRS)

Walsh, Brian M.; Armagan, Guzin; Dibartolo, Baldassare; Modlin, Edward A.

1995-01-01

The optical spectra of rare earth ions in solids arise primarily from electric and magnetic dipole transitions between stark split multiplets of the 4f(sup N) electronic configuration. Electric dipole transitions are parity forbidden between levels of the 4f(sup N) configuration, while those of magnetic dipole origin are allowed. It is known from experiment, however, that the significant contributions to the intensities of most transitions are electric dipole in nature. Judd and Ofelt developed the theory of forced electric dipole transitions of rare-earth ions. This study is devoted to determining electric dipole transition probabilities and branching ratios for Tm(3+) and Ho(3+) ions in Yttrium Aluminum Garnet (YAG) and Yttrium Lithium Fluoride (YLF) using the theory of Judd and Ofelt. The radiative rates determined from the Judd-Ofelt analysis are used with measured lifetimes to find nonradiative rates of relaxation.

Judd's Debt to Wundt

ERIC Educational Resources Information Center

Dunkel, Harold B.

1977-01-01

Charles Judd identified closely with Wilhelm Wundt's philosophy and general psychological position. This article traces Judd's views on the American educational system in the early part of this century, some of the persistent themes that were part of Judd's thought, and Wundt's influence on Judd's thinking. Also discusses Judd's efforts to collect…

Optical spectroscopy and magnetic behaviour of Sm3+ and Eu3+ cations in Li6Eu1-xSmx(BO3)3 solid solution

NASA Astrophysics Data System (ADS)

Belhoucif, Rekia; Velázquez, Matias; Plantevin, Olivier; Aschehoug, Patrick; Goldner, Philippe; Christian, George

2017-11-01

A new borate solid solution series of powders, Li6Eu1-xSmx(BO3)3 (LSEBx, x = 0.35, 0.5, 0.6, 1), were synthesized by solid-state reaction, characterized and their luminescent properties were investigated. The absorption spectra indicate that absorption takes place mainly from the Sm3+6H5/2 ground state, with a strong band at 405 nm. The photoluminescence spectra reveal that the Eu3+ red emission intensity strongly depends on the Sm3+ content x. Judd-Ofelt theory was applied to experimental data for the quantitative determination of phenomenological parameters Ωi (i = 2, 4, 6) Judd Ofelt parameters, radiative transition rates and emission quantum efficiency. Owing to the energy transfer from Sm3+ to Eu3+ the intense red light detected at 613 nm at room temperature under UV or blue light excitation, was improved by ∼35% as compared with Sm3+-free samples. This energy transfer was confirmed by faster decay times of Sm3+ as energy donors. Moreover, the energy transfer between Sm3+ and Eu3+ is unidirectional and irreversible, implying that the energy transfer wastage between Sm3+ and Eu3+ is very low. Magnetic susceptibility (χ) measurements of LSEBx were carried out in the temperature range 2-320 K and are used to compare calculated and experimental energy levels.

Growth, spectroscopy and continuous-wave laser performance of Nd3+:LiLu0.65Y0.35F4 crystal

NASA Astrophysics Data System (ADS)

Demesh, M. P.; Kurilchik, S. V.; Gusakova, N. V.; Yasukevich, A. S.; Kisel, V. E.; Nizamutdinov, A. S.; Marisov, M. M.; Aglyamov, R. D.; Korableva, S. L.; Naumov, A. K.; Semashko, V. V.; Kuleshov, N. V.

2018-04-01

A mixed fluoride crystal of LiLu0.65Y0.35F4 doped with Nd3+ ions was grown by the Bridgman-Stockbarger method. Polarized absorption and luminescence spectra as well as luminescence lifetime were measured at room temperature. Emission probabilities, branching ratios and radiative lifetime were studied within the Judd-Ofelt theory and the emission cross section spectra were calculated. Efficient continuous wave laser operation was demonstrated with the crystal. A maximum output power of 7.7 W and slope efficiency of 60% were achieved at 1047 nm for the TEM00 mode.

Optical study of Tm-doped solid solution (Sc0.5Y0.5)2SiO5 crystal

NASA Astrophysics Data System (ADS)

Shi, Jiaojiao; Liu, Bin; Zheng, Lihe; Wang, Qingguo; Tang, Huili; Liu, Junfang; Su, Liangbi; Wu, Feng; Zhao, Hengyu; He, Nuotian; Li, Na; Li, Qiu; Guo, Chao; Xu, Jun; Yang, Kejian; Xu, Xiaodong; Ryba-Romanowski, Witold; Lisiecki, Radosław; Solarz, Piotr

2018-04-01

Tm-doped (Sc0.5Y0.5)2SiO5 (SYSO) crystals were grown by Czochralski method. The UV-VIR-NIR absorption spectra and the near-infrared emission spectra were measured and analysed by the Judd-Ofelt approach. Temperature influence on both absorption and emission spectra has been determined from the data recorded at room temperature and 10 K. It has been found that the structural disorder resulting from dissimilar ionic radii of Sc3+ and Y3+ in the solid solution (Sc0.5Y0.5)2SiO5 crystal brings about a strong inhomogeneous broadening of Tm3+ ions spectra. However, it affects the excited state relaxation dynamics inherent to thulium-doped Y2SiO5 and Sc2SiO5 hosts weakly.

Optical characterization of Nd (3+):AgBr.

PubMed

Bunimovich, D; Nagli, L; Katzir, A

1997-10-20

The luminescence of silver bromide crystals, doped with neodymium, was investigated over the visible and near-infrared spectral ranges. The emission, excitation, and absorption spectra were measured over a broad temperature range. The absolute luminescence quantum yield was estimated by comparing the luminescence with that of a neodymium-doped phosphate glass, for which the manufacturer gives a value of 0.4. The Judd-Ofelt analysis was applied to both materials, and transition rates, branching ratios, and quantum efficiencies were calculated for all the observed bands. Good agreement was obtained between theory and experiment.

Emission characteristics of holmium ions in fluoro-phosphate glasses for photonic applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Babu, S.; Ratnakaram, Y. C., E-mail: ratnakaramsvu@gmail.com

2016-05-23

Optical properties of Ho{sup 3+} doped different fluorophosphate (FP) glasses have been synthesized and discussed. Thermal properties have been studied through differential scanning calorimetry (DSC).The Judd-Ofelt (J-O) intensity parameters Ω{sub λ} (λ= 2, 4, 6) from absorption spectra have been evaluated. Various radiative parameters have been obtained for the different excited states using J-O theory. From the emission spectra, different laser properties have been studied and discussed. The nature of decay curve analysis was performed for the {sup 5}F{sub 4}({sup 5}S{sub 2}) level. These glasses are expected to give interesting application in the field of photonic applications.

Crystal growth, polarized spectroscopy and Judd-Ofelt analysis of Tb:YAlO3.

PubMed

Liu, Bin; Shi, Jiaojiao; Wang, Qingguo; Tang, Huili; Liu, Junfang; Zhao, Hengyu; Li, Dongzhen; Liu, Jian; Xu, Xiaodong; Wang, Zhanshan; Xu, Jun

2018-07-05

Tb 3+ -doped YAlO 3 (YAP) single crystal was grown by Czochralski (Cz) method. Based on the polarized absorption spectra, the spectroscopic parameters were calculated to be Ω 2 =3.49×10 -20 cm 2 , Ω 4 =5.87×10 -20 cm 2 and Ω 6 =2.55×10 -20 cm 2 , and then the spontaneous transition rate, fluorescent branching ratio and radiative lifetime of 5 D 4 multiplet were obtained. The yellow emission cross sections of 5 D 4 → 7 F 4 transition were calculated to be 1.72×10 -22 cm 2 , 2.73×10 -22 cm 2 and 2.65×10 -22 cm 2 for a, b and c polarization, respectively. The fluorescence lifetime of the 5 D 4 multiplet was fitted to be 1.72ms. All the data indicate that Tb:YAP crystal is a promising candidate for yellow laser operation. Copyright © 2018. Published by Elsevier B.V.

Efficient green luminescence of terbium oxalate crystals: A case study with Judd-Ofelt theory and single crystal structure analysis and the effect of dehydration on luminescence

NASA Astrophysics Data System (ADS)

Alexander, Dinu; Joy, Monu; Thomas, Kukku; Sisira, S.; Biju, P. R.; Unnikrishnan, N. V.; Sudarsanakumar, C.; Ittyachen, M. A.; Joseph, Cyriac

2018-06-01

Design and synthesis of Lanthanide based metal organic framework is a frontier area of research owing to their structural diversity enabling specific applications. The luminescence properties of rare earths, tuned by the structural features of Ln-MOFs are investigated extensively. Rare earth oxalates which can be synthesized in a facile method, ensuring the structural features of MOFs with excellent photoluminescence characteristics deserves much attention. This work is the first time report on the single crystal structure and Judd-Ofelt (JO) theoretical analysis - their correlation with the intense and sharp green luminescence of Terbium oxalate crystals. The intense green luminescence observed for Terbium oxalate crystals for a wide range of excitation from DUV to visible region despite the luminescence limiting factors are discussed. The absence of concentration quenching and lifting up of forbidden nature of f-f transitions, allowing direct excitation of Terbium ions is analysed with the help of JO theory and single crystal structure analysis. The JO analysis predicted the asymmetry of Terbium sites, allowing the electric dipole transitions and from the JO intensity parameters, promising spectroscopic parameters - emission cross section, branching ratio, gain band width and gain coefficient of the material were calculated. The single crystal structure analysis revealed the asymmetry of Tb sites and structure of Terbium oxalate is formed by the hydrogen bonded stacking of overlapped six Terbium membered rings connected by the oxalate ligands. The molecularly thick layers thus formed on the crystal surface are imaged by the atomic force microscopy. The presence of water channels in the structure and the effect of lattice water molecules on the luminescence intensity are also investigated.

Growth and spectroscopic properties of Sm3+:KY(WO4)2 crystal

NASA Astrophysics Data System (ADS)

Demesh, M. P.; Dernovich, O. P.; Gusakova, N. V.; Yasukevich, A. S.; Kornienko, A. A.; Dunina, E. B.; Fomicheva, L. A.; Pavlyuk, A. A.; Kuleshov, N. V.

2018-01-01

A Sm3+:KY(WO4)2 crystal was grown by the modified Czochralski technique. Polarized absorption and fluorescence spectra, as well as a fluorescence decay curve, were recorded at room temperature. Radiative properties such as emission probabilities, branching ratios and radiative lifetimes were investigated within the framework of the Judd-Ofelt theory as well as the theory of f-f transition intensities which takes into account the influence of the excited configurations. Emission cross section spectra were determined. 4G5/2 fluorescence decay was analyzed within the framework of the Inokuti-Hirayama model. The spectroscopic properties of Sm:KYW crystal were compared with those of other Sm3+-doped materials.

Comparative absorption spectroscopy involving 4f-4f transitions to explore the kinetics of simultaneous coordination of uracil with Nd(III) and Zn(II) and its associated thermodynamics

NASA Astrophysics Data System (ADS)

Victory Devi, Ch.; Rajmuhon Singh, N.

2011-10-01

The interaction of uracil with Nd(III) has been explored in presence and absence of Zn(II) using the comparative absorption spectroscopy involving the 4f-4f transitions in different solvents. The complexation of uracil with Nd(III) is indicated by the change in intensity of 4f-4f bands expressing in terms of significant change in oscillator strength and Judd-Ofelt parameters. Intensification of this bands became more prominent in presence of Zn(II) suggesting the stimulative effect of Zn(II) towards the complexation of Nd(III) with uracil. Other spectral parameters namely Slator-Condon ( Fk's), nephelauxetic effect ( β), bonding ( b1/2) and percent covalency ( δ) parameters are computed to correlate their simultaneous binding of metal ions with uracil. The sensitivities of the observed 4f-4f transitions towards the minor coordination changes around Nd(III) has been used to monitor the simultaneous coordination of uracil with Nd(III) and Zn(II). The variation of intensities (oscillator strengths and Judd-Ofelt parameters) of 4f-4f bands during the complexation has helped in following the heterobimetallic complexation of uracil. Rate of complexation with respect to hypersensitive transition was evaluated. Energy of activation and thermodynamic parameters for the complexation reaction were also determined.

Spectroscopic properties of Sm3+ and V4+ ions in Na2O-SiO2-ZrO2 glasses

NASA Astrophysics Data System (ADS)

Neeraja, K.; Rao, T. G. V. M.; Kumar, A. Rupesh; Uma Lakshmi, V.; Veeraiah, N.; Rami Reddy, M.

2013-12-01

Na2O-SiO2-ZrO2 glasses of Sm3+ ions with and without V2O5 are characterized by spectroscopic and optical properties. The XRD and EDS spectra of the glass samples reveal an amorphous nature with different compositions within the glass matrix. The Infrared and Raman spectral studies are carried out and the existence of conventional structural units are analyzed in the glass network. The ESR spectra of the glass samples have indicating that a considerable proportion of vanadium ion exists in V4+ state. The optical absorption spectra of these glasses are recorded at room temperature, from the measured intensities of various absorption bands the Judd-Ofelt parameters Ω2, Ω4 and Ω6 are calculated. The photo-luminescence spectra recorded with excited wavelength 400 nm, five emission bands are observed; in this the energy transfer probability takes place between Sm3+ and V4+ ions.

Absorption spectral analysis of 4f-4f transitions for the complexation of Pr(III) and Nd(III) with thiosemicarbazide in absence and presence of Zn(II) in aqueous and organic solvents

NASA Astrophysics Data System (ADS)

Anita, K.; Rajmuhon Singh, N.

2011-10-01

The complexation of thiosemicarbazide with Pr(III) and Nd(III) in absence and presence of Zn(II), a soft metal ion in aqueous and organic solvents like CH 3OH,CH 3CN, dioxane (C 4H 8O 2) and DMF (C 3H 7NO) and their equimolar mixtures are discussed by employing absorption difference and comparative absorption spectrophotometry. Complexation of thiosemicarbazide with Pr(III) and Nd(III) is indicated by the changes in the absorption intensity following the subsequent changes in the oscillator strength of different 4f-4f bands and Judd-Ofelt intensity ( Tλ) parameters. The other spectral parameters like energy interaction parameters namely Slater-Condon ( Fk), Racah ( Ek), Lande ( ξ4f), Nephelauxetic ratio ( β) and bonding parameters ( b1/2) are further computed to explain the nature of complexation. The difference in the energy parameters with respect to donor atoms and solvents reveal that the chemical environment around the lanthanide ions has great impact on f-f transition and any change in the environment result in modification of the spectra. Various solvents and their equimolar mixtures are also used to discuss the participation of solvents in the complexation.

Mid-infrared emission and Raman spectra analysis of Er(3+)-doped oxyfluorotellurite glasses.

PubMed

Chen, Fangze; Xu, Shaoqiong; Wei, Tao; Wang, Fengchao; Cai, Muzhi; Tian, Ying; Xu, Shiqing

2015-04-10

This paper reports on the spectroscopic and structural properties in Er(3+)-doped oxyfluorotellurite glasses. The compositional variation accounts for the evolutions of Raman spectra, Judd-Ofelt parameters, radiative properties, and fluorescent emission. It is found that, when maximum phonon energy changes slightly, phonon density plays a crucial role in quenching the 2.7 μm emission generated by the Er(3+):(4)I11/2→(4)I13/2 transition. The comparative low phonon density contributes strong 2.7 μm emission intensity. The high branching ratio (18.63%) and large emission cross section (0.95×10(-20)  cm(2)) demonstrate that oxyfluorotellurite glass contained with 50 mol.% TeO2 has potential application in the mid-infrared region laser.

Emission analysis of RE3+ (RE = Sm, Dy):B2O3-TeO2-Li2O-AlF3 glasses.

PubMed

Raju, C Nageswara; Sailaja, S; Kumari, S Pavan; Dhoble, S J; Kumar, V Ramesh; Ramanaiah, M V; Reddy, B Sudhakar

2013-01-01

This article reports on the optical properties of 0.5% mol of Sm(3+), Dy(3+) ion-doped B2O3-TeO2-Li2O-AlF3 (LiAlFBT) glasses. The glass samples were characterized by optical absorption and emission spectra. Judd-Ofelt theory was applied to analyze the optical absorption spectra and calculate the intensity parameters and radiative properties of the emission transitions. The emission spectra of Sm(3+) and Dy(3+):LiAlFBT glasses showed a bright reddish-orange emission at 598 nm ((4)G5/2 → (6)H7/2) and an intense yellow emission at 574 nm ((4)F9/2 → (6)H13/2), respectively. Full width at half maximum (FWHM), stimulated emission cross section, gain bandwidth and optical gain values were also calculated to extend the applications of the Sm(3+) and Dy(3+):LiAlFBT glasses. Copyright © 2012 John Wiley & Sons, Ltd.

Growth and spectroscopic properties of Tm3+:NaBi(MoO4)2 single crystal

NASA Astrophysics Data System (ADS)

Gusakova, N. V.; Mudryi, A. V.; Demesh, M. P.; Yasukevich, A. S.; Pavlyuk, A. A.; Kornienko, A. A.; Dunina, E. B.; Khodasevich, I. A.; Orlovich, V. A.; Kuleshov, N. V.

2018-06-01

In this work we report the spectroscopic properties of Tm3+:NaBi(MoO4)2 crystals with the dopant concentrations of 0.7 at.% and 3 at.%. The energy levels of the Tm3+ in the NaBi(MoO4)2 host were determined from polarized optical absorption and photoluminescence spectra measured at 77.4 K. Radiative properties of the crystals were calculated in context of Judd-Ofelt theory. Raman spectra of the crystal were studied. The concentration dependences of emission decay times of 3H4 and 3F4 levels were analyzed. The potential of the crystal for building tunable and ultrafast pulse lasers is shown on the base of cross sections and gain coefficient in the range of 1.9 μm.

Spectroscopic properties and thermal stability of Er3+ -doped TeO2-B2O3-Nb2O5-ZnO glass for potential WDM amplifier.

PubMed

Xu, Tiefeng; Zhang, Xudong; Li, Guangpo; Dai, Shixun; Nie, Qiuhua; Shen, Xiang; Zhang, Xianghua

2007-06-01

A series of novel 70TeO2-(15-x)B2O3-xNb2O5-15ZnO-1wt.% Er2O3 (TBN x=0, 3, 6, 9, 12 and 15 mol%) tellurite glasses were prepared. The thermal stability, absorption spectra, emission spectra, and the lifetime of the (4)I(13/2) level of Er(3+) ions were measured and investigated. Three Judd-Ofelt intensity parameters Omega(t) (t=2, 4 and 6) (Omega(2)=(5.42-6.76)x10(-20)cm(2); Omega(4)=(1.37-1.73)x10(-20)cm(2); Omega(6)=(0.70-0.94)x10(-20)cm(2)) of Er(3+) ions were calculated by Judd-Ofelt theory. It is found that the Omega(6) first increases with the increase of Nb2O5 content from 0 to 6 mol% and then decreases, which is mainly affected by the number of non-bridging oxygen ions of the glass network. The high peak of stimulated emission cross-section (sigma(e)(peak)=(0.77-0.91)x10(-20)cm(2)) of Er(3+): (4)I(13/2)-->(4)I(15/2) transition were obtained according to McCumber theory and broad full width at half maximum (FWHM=65-73 nm) of the (4)I(13/2)-->(4)I(15/2) transition of Er(3+) ions were measured. The results indicate that these new TBN glasses can be used as a candidate host material for potential broadband optical amplifiers.

Thermal and optical properties of Tm3+ doped tellurite glasses.

PubMed

Ozen, G; Demirata, B; Oveçoğlu, M L; Genç, A

2001-02-01

Ultraviolet, visible (UV/VIS) and differential thermal analysis (DTA) measurements were carried out in order to investigate the optical and thermal properties of various 0.5 mol.% Tm2O3 containing (1 - x)TeO2 + xLiCl glasses in molar ratio. The samples were prepared by fusing the mixture of their respective reagent grade powders in a platinum cricuble at 750 degrees C for 30 min. DTA curves taken in the 23-600 degrees C temperature range with a heating rate of 10 degrees C/min reveal a change in the value of the glass transition temperature, Tg, while melting was not observed for the glasses containing LiCl content less than 50 mol.%. These glasses were found to be moisture-resistant. However, the glasses with LiCl content higher than 50 mol.%, in which a melting peak was observed at Tc = 401 degrees C, were moisture-sensitive. Absorption measurements in the UV/VIS region of the glasses without Tm2O3 content show that the Urbach cutoff occurs at about 320 nm and, is relatively independent of the LiCl content. Six absorption bands were observed in the Tm2O3 doped glasses corresponding to the absorption of the 1G4, 3F2, 3F3 and 3F4, 3H5 and 3H4 levels from the 3H6 ground level of Tm3+ ions. The spectra also show that the integrated absorption cross-section of each band depends on the glass composition. Judd-Ofelt theory was used to determine the Judd-Ofelt parameters as well as the radiative transition probabilities for the metastable levels of Tm3+ ions in (0.3)LiCl + (0.7) TeO2: 0.01 Tm2O3 glass which is moisture-resistant.

Dopant occupancy and UV-VIS-NIR spectroscopy of Mg (0, 4, 5 and 6 mol.%):Dy:LiNbO3 crystal

NASA Astrophysics Data System (ADS)

Dai, Li; Liu, Chunrui; Han, Xianbo; Wang, Luping; Tan, Chao; Yan, Zhehua; Xu, Yuheng

2017-09-01

A series of Dy:LiNbO3 crystals with x mol.% Mg2+ ions (x =0, 4, 5 and 6 mol.%) were grown by the Czochralski method. The effective segregation coefficient of Mg2+ and Dy3+ ions was studied by the inductively coupled plasma-atomic emission spectrometry (ICP-AES). UV-VIS-NIR absorption spectra and Judd-Ofelt theory were used to investigate their spectroscopic properties. J-O intensity parameters (Ω2 = 7.53 × 10-20cm2, Ω4 = 6.98 × 10-20cm2, and Ω6 = 3.09 × 10-20cm2) and larger spectroscopic quality factor (X = 2.26) for Mg:(6 mol.%)Dy:LiNbO3 crystals were obtained.

Role of Er3+ concentration in high-resolution spectra of BaY2 F8 single crystals

NASA Astrophysics Data System (ADS)

Baraldi, A.; Capelletti, R.; Mazzera, M.; Ponzoni, A.; Amoretti, G.; Magnani, N.; Toncelli, A.; Tonelli, M.

2005-08-01

Fourier transform absorption spectroscopy with a resolution as fine as 0.02cm-1 was applied to Er3+ -doped monoclinic BaY2F8 laser crystals in a wide wave number range (500-24000cm-1) and in the temperature range 9-300 K. The careful analysis of the complex narrow line spectra induced by Er3+ allowed us to determine with high accuracy the crystal field splitting of the fundamental I15/24 and of the excited I13/24 , I11/24 , I9/24 , F9/24 , S3/24 , H11/22 , F7/24 , F5/24 , and F3/24 manifolds. On the basis of the experimental data, the crystal-field parameters were determined and Newman’s superposition model was applied: in this way a slight displacement of Er3+ with respect to the Y3+ position was foreseen. The Judd-Ofelt parameters were evaluated: the lifetime values deduced from them were compared to the experimental ones and discussed. The effects caused by increasing Er3+ concentrations (0.5%, 2%, 12%, and 20% atomic fraction) were studied in detail. The new lines, the line broadening, and the line-shape changes were explained in terms of Er3+-Er3+ interaction.

Structural, optical absorption and photoluminescence spectral studies of Sm3+ ions in Alkaline-Earth Boro Tellurite glasses

NASA Astrophysics Data System (ADS)

Siva Rama Krishna Reddy, K.; Swapna, K.; Mahamuda, Sk.; Venkateswarlu, M.; Srinivas Prasad, M. V. V. K.; Rao, A. S.; Prakash, G. Vijaya

2018-05-01

Sm3+ ions doped Alkaline-Earth Boro Tellurite (AEBT) glasses were prepared by using conventional melt quenching technique and characterized using the spectroscopic techniques such as FT-IR, optical absorption, emission and decay spectral measurements to understand their utility in optoelectronic devices. From absorption spectra, the bonding parameters, nephelauxetic ratios were determined to know the nature of bonding between Sm3+ ions and its surrounding ligands. From the measured oscillator strengths, the Judd-Ofelt (J-O) intensity parameters were evaluated and in turn used to estimate various radiative parameters for the fluorescent levels of Sm3+ ions in AEBT glasses. The PL spectra of Sm3+ ions exhibit three emission bands corresponding to the transitions 4G5/2 → 6H5/2, 6H7/2 and 6H9/2 in the visible region for which the emission cross-sections and branching ratios were evaluated. The decay spectral profiles measured for 4G5/2 → 6H7/2 transition showed single exponential for lower concentration and non-exponential for higher concentration of doped rare earth ion in the as prepared glasses. Conversion of decay spectral profiles from single to non-exponential have been analyzed using Inokuti-Hirayama (I-H) model to understand the energy transfer mechanism involved in the decay process. CIE Chromaticity coordinates were measured using emission spectral data to identify the exact region of emission from the as-prepared glasses. From the evaluated radiative parameters, emission cross-sections and quantum efficiencies, it was observed that AEBT glass with 1 mol% of Sm3+ ions is more suitable for designing optoelectronic devices.

The effect of La2O3 in Tm3+-doped germanate-tellurite glasses for ~2 μm emission

PubMed Central

Peng, Ya-Pei; Yuan, Xinqiang; Zhang, Junjie; Zhang, Long

2014-01-01

A germanate-tellurite glass (GeO2-TeO2-K2O-Nb2O5-La2O3) with thulium doping has been investigated for application as a laser material around 2.0 μm regions. Under the 808 nm laser diode pumped, intense 1.8 μm emission is obtained. Based on the absorption spectra, radiative properties are predicted using Judd-Ofelt theory. The maximum value of emission cross-section of Tm3+ around 1.8 μm can reach 1.46 × 10−20 cm2, which indicated that the germanate-tellurite glass may provide high gain as a good medium for efficient 1.8 μm laser system. PMID:24918516

Growth and optical properties of Dy:Y3Al5O12 crystal

NASA Astrophysics Data System (ADS)

Pan, Yuxin; Zhou, Shidong; Li, Dongzhen; Liu, Bin; Song, Qingsong; Liu, Jian; Liu, Peng; Ding, Yuchong; Wang, Xiaodan; Xu, Xiaodong; Xu, Jun

2018-02-01

High optical quality Dy:Y3Al5O12 (Dy:YAG) crystal has been grown by the Czochralski method. Absorption spectra, fluorescence spectra and fluorescence decay curve of Dy:YAG have been recorded at room temperature. The strongest emission of Dy:YAG crystal is near 583 nm, corresponding to the 4F9/2 → 6H13/2 transition. The Judd-Ofelt parameters Ω2, Ω4 and Ω6 were calculated to be 1.49 × 10-20 cm2, 0.94 × 10-20 cm2 and 3.20 × 10-20 cm2, respectively. The radiative transition rates, branching ratios and the emission cross sections were calculated. The fluorescence and radiative lifetimes are 0.40 ms and 1.02 ms, respectively, resulting in a quantum efficiency of 39.2%. The results indicate that the Dy:YAG crystal would be a promising yellow solid state laser material.

Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

NASA Astrophysics Data System (ADS)

Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

2018-05-01

This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

High output power of differently cut Nd:MgO:LiTaO3 CW lasers

NASA Astrophysics Data System (ADS)

Sun, D. H.; Liu, S. D.; Wang, D. Z.; Sang, Y. H.; Kang, X. L.; Liu, H.; Bi, Y.; Yan, B. X.; He, J. L.; Wang, J. Y.

2013-04-01

A high-quality Nd3+ and Mg2+ co-doped LiTaO3 (Nd:MgO:LT) crystal was grown by the Czochralski method. The polarized absorption spectra and fluorescence spectra were studied, and the absorption cross section was calculated by Judd-Ofelt (J-O) theory. The laser performance with different sample cuts of the crystal was investigated for the first time, and it was found that Nd:MgO:LT crystal with different cutting directions (a and c) exhibits different laser properties. By optimizing a partial reflectivity mirror in the laser experimental setting, a high continuous wave output power of 3.58 W was obtained at 1092 and 1076 nm with an optical-to-optical conversion efficiency of 22.78% and slope efficiency of 26.06%. The results indicate that Nd:MgO:LT crystal is a promising candidate for the manufacture of Nd3+ doped periodically poled MgO:LiTaO3 crystal (Nd:PPMgOLT), which should have considerable applications in self-frequency doubling and optical parametric oscillation laser devices.

Comparative 4f-4f absorption spectral study for the interactions of Nd(III) with some amino acids: Preliminary thermodynamics and kinetic studies of interaction of Nd(III):glycine with Ca(II)

NASA Astrophysics Data System (ADS)

Moaienla, T.; Bendangsenla, N.; David Singh, Th.; Sumitra, Ch.; Rajmuhon Singh, N.; Indira Devi, M.

2012-02-01

Spectral analysis of Nd(III) complexes with some amino acids viz.; glycine, L-alanine, L-phenylalanine and L-aspartic acid in the presence and absence of Ca 2+ was carried out in some organic solvents; CH 3OH, CH 3CN, DMF and dioxane using comparative absorption spectra of 4f-4f transitions. The study was carried out by evaluating various energy interaction parameters like Slator-Condon ( Fk), Lande factor ( ξ4f), nephelauxetic ratio ( β), bonding parameter ( b1/2), percent-covalency ( δ) by applying partial and multiple regression analysis. The values of oscillator strength ( Pobs) and Judd-Ofelt electric dipole intensity parameter Tλ ( λ = 2, 4, 6) for different 4f-4f transitions have been calculated. On analysis of the variation of the various energy interaction parameters as well as the changes in the oscillator strength ( Pobs) and Tλ values, reveal the mode of binding with the different ligands. Kinetic studies for the complexation of Nd(III):glycine:Ca(II) have also been discussed at different temperatures in DMF medium and from it the values of activation energy ( Ea) and thermodynamic parameters like Δ H°, Δ S° and Δ G° for the complexation are evaluated.

Structural and luminescence studies of Ho{sup 3+}-doped zinc-aluminium-sodium-phosphate (ZANP) glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brahmachary, K.; Rajesh, D.; Ratnakaram, Y. C., E-mail: ratnakaramsvu@gmail.com

Trivalent holmium doped zinc-aluminium-sodium-phosphate (ZANP) glasses were prepared by conventional melt-quenching technique and characterized for their structural and luminescence properties. The amorphous nature, elemental analysis and thermal stability of the glasses were studied by using X-ray diffraction, energy dispersive spectrum and differential scanning calorimetry analysis, respectively. The absorption and fluorescence spectra have been recorded at room temperature. Based on the absorption spectra, the Judd-Ofelt parameters and radiative parameters such as spontaneous transition probabilities (A{sub R}), branching ratios (β{sub R}), radiative lifetimes (τ{sub R}) were calculated and discussed. From the emission spectra emission peak positions (λ{sub P}), effective bandwidths (Δλ{sub eff})more » and stimulated emission cross-sections (σ{sub P}) were calculated for the observed emission transitions,{sup 5}S{sub 2} ({sup 5}F{sub 4}→{sup 5}I{sub 8}) and {sup 5}F{sub 5}→{sup 5}I{sub 8} in all the glass samples. The stimulated emission cross-section is higher for ZANPHo10 glass matrix and so it may be useful for laser excitation.« less

Effect of Bi2O3 on spectroscopic and structural properties of Er3+ doped cadmium bismuth borate glasses.

PubMed

Sanghi, S; Pal, I; Agarwal, A; Aggarwal, M P

2011-12-01

Glasses with composition 20CdO·xBi(2)O(3)·(79.5-x)B(2)O(3) (15≤x≤35, x in mol%) containing 0.5 mol% of Er(3+) ions were prepared by melt-quench technique (1150°C in air). The amorphous nature of the glasses was confirmed by X-ray diffraction. The spectroscopic properties of the glasses were investigated using optical absorption spectra and fluorescence spectra. The phenomenological Judd-Ofelt intensity parameters Ω(λ) (λ=2, 4, 6) were determined from the spectral intensities of absorption bands in order to calculate the radiative transition probability (A(R)), radiative life time (τ(R)), branching ratios (β(R)) for various excited luminescent states. Using the near infrared emission spectra, full width at half maxima (FWHM), stimulated emission cross-section (σ(e)) and figure of merit (FOM) were evaluated and compared with other hosts. Especially, the numerical values of these parameters indicate that the emission transition (4)I(13/2)→(4)I(15/2) at 1.506 μm in Er(3+)-doped cadmium bismuth borate glasses may be useful in optical communication. Copyright © 2011 Elsevier B.V. All rights reserved.

Spectroscopic properties of heavily Ho3+-doped barium yttrium fluoride crystals

NASA Astrophysics Data System (ADS)

Ji, En-Cai; Liu, Qiang; Nie, Ming-Ming; Luo, Hui; Hu, Yu-Xi; Guan, Zhou-Guo; Gong, Ma-Li

2015-09-01

The 30 at.% Ho: BaY2F8 crystals were grown by the Czochralski method, and their spectroscopic properties are analyzed systematically by standard Judd-Ofelt theory. The Judd-Ofelt intensity parameters are estimated to be Ω2 = 6.74 × 10-20 cm2, Ω4 = 1.20 × 10-20 cm2, and Ω6 = 0.66 × 10-20 cm2, and the fluorescence branching ratios and radiative lifetimes for a series of excited state manifolds are also determined. The emission cross sections with our measured infrared luminescence spectra, especially important for 4.1 μm, are calculated to be about 4.37 × 10-21 cm2. The crystal quality is preliminarily tested through a mid-infrared laser emission experiment. Project supported by the National Natural Science Foundation of China (Grant No. 61275146), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20120002110066), and the Special Program of the Co-construction with Beijing Municipal Government of China (Grant No. 20121000302).

Investigation of Tm3+/Yb3+ co-doped germanate-tellurite glasses for efficient 2 µm mid-infrared laser materials

NASA Astrophysics Data System (ADS)

Dou, Aoju; Shen, Lingling; Wang, Ning; Cai, Yangjian; Cai, Muzhi; Guo, Yanyan; Huang, Feifei; Tian, Ying; Xu, Shiqing; Zhang, Junjie

2018-05-01

The Tm3+/Yb3+ co-doped germanate-tellurite glasses with good thermal properties were prepared. Based on the absorption spectra and the Judd-Ofelt theory, the J-O intensity parameters (Ω t ), radiative transition probability (276.78 s- 1), fluorescence lifetime (3.89 ms), absorption and emission cross sections ({σ e} = 1.35 × 10- 20 cm2) were calculated. The 2 µm mid-infrared emission resulting from the 3F4→3H6 transition of Tm3+ sensitized by Yb3+ was observed pumped by 980 nm LD. Besides, the energy transfer mechanism between Yb3+ and Tm3+ was thoroughly discussed. The measured 2 µm emission lifetime of Tm3+/Yb3+ co-doped glass can reach as high as 2.38 ms. The above results showed that Tm3+/Yb3+ co-doping glass could be expected to be a promising material to achieve high efficient 2 µm lasing with a 980 nm LD pumping.

Thermal, Spectral and Laser Properties of Er3+:Yb3+:GdMgB₅O10: A New Crystal for 1.5 μm Lasers.

PubMed

Huang, Yisheng; Yuan, Feifei; Sun, Shijia; Lin, Zhoubin; Zhang, Lizhen

2017-12-25

A novel laser crystal of Er 3+ :Yb 3+ :GdMgB₅O 10 with dimension of 26 × 16 × 12 mm³ was grown successfully from K₂Mo₃O 10 flux by the top seeded solution growth method. The thermal diffusivity and specific heat capacity were measured to calculate the thermal conductivity of the crystal. The absorption and fluorescence properties of the crystal at room temperature were investigated in detail. The Judd-Ofelt method was used to analyze the polarized absorption spectra. The emission cross-section of the ⁴I 13/2 →⁴I 15/2 transition was calculated by the Füchtbauer-Ladenburg formula and the relevant gain cross-sections were estimated. Continuous-wave laser output of 140 mW at 1569 nm with the slope efficiency of 17.8% was demonstrated in a plano-concave resonator. The results reveal that Er 3+ :Yb 3+ :GdMgB₅O 10 crystal is a promising material for 1.5 μm lasers.

Blue light emitting Y2O3:Tm3 + nanophosphors with tunable morphology obtained by bio-surfactant assisted sonochemical route

NASA Astrophysics Data System (ADS)

Venkatachalaiah, K. N.; Nagabhushana, H.; Darshan, G. P.; Basavaraj, R. B.; Daruka Prasad, B.; Sharma, S. C.

2017-09-01

Modified sonochemical route was used to prepare Y2O3:Tm3+ (1-11 mol%) nanophosphor using Mimosa pudica (M.P.) leaves extract as bio-surfactant. The prepared samples were exhibited high crystalline nature with various morphologies. This was due to sonochemical experimental reaction took place between cavitation bubbles and nearby solution. The average crystallite sizes of the prepared samples were about 15 nm to 21 nm as obtained from PXRD and TEM analysis. The ultraviolet visible absorption spectra showed prominent bands with an energy gap varied from 5.73 eV to 5.84 eV. Photoluminescence (PL) emission spectra shows the prominent blue light emission peak at 456 nm attributed to 1D2 → 3F4 transitions of Tm3+ ions. Judd-Ofelt intensity parameters were estimated by using PL emission spectra. The photometric characteristics of the prepared compounds were very close to the blue color of NTSC standards. So the results were fruitful in making use of Y2O3:Tm3 + nanophosphor as an alternative material for effective blue component in WLED's.

Photoluminescence varied by selective excitation in BiGdWO6:Eu3+ phosphor

NASA Astrophysics Data System (ADS)

Pavani, K.; Graça, M. P. F.; Kumar, J. Suresh; Neves, A. J.

2017-12-01

Eu3+ doped bismuth gadolinium tungstate (BGW), a simplest member of Aurivillius family of layered perovskites, was synthesized by solid-state reaction method. Structural characterisation has been performed by X-Ray diffraction (XRD), Raman spectroscopy, Fourier Transform Infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). Band gap of the host matrix has been calculated using reflectance and absorption spectra. Three different mechanisms were found to explain the excitation of Eu3+ ions and are described in detail. Photoluminescence (PL) spectra of the BGW phosphor doped with Eu3+ ions consist of major emission lines associated with 5D0 → 7FJ (J = 0, 1, 2, 3 and 4) of Eu3+ ion. Site selective PL excitation and emission indicates that Eu3+ ions doped in BiGdWO6 are sensitive to the excitation wavelength without change in the structure. Change in emission spectra were observed when the excitation wavelength was changed. Judd-Ofelt (J-O) parameters were determined from the indirect method to interpret the interactions between the host and dopant ions along with detailed analysis of lifetime measurements.

Enhanced 1.32 μm fluorescence and broadband amplifying for O-band optical amplifier in Nd3+-doped tellurite glass

NASA Astrophysics Data System (ADS)

Zhou, Zi-zhong; Zhou, Ming-han; Su, Xiu-e.; Cheng, Pan; Zhou, Ya-xun

2017-01-01

WO3 oxides with relatively high phonon energy and different concentrations were introduced into the Nd3+-doped tellurite-based glasses of TeO2-ZnO-Na2O to improve the 1.32 μm band fluorescence emission. The absorption spectra, Raman spectra, 1.32 μm band fluorescence spectra and differential scanning calorimeter (DSC) curves were measured, together with the Judd-Ofelt intensity parameters, stimulated emission and gain parameters were calculated to evaluate the effects of WO3 amount on the glass structure and spectroscopic properties of 1.32 μm band fluorescence. It is shown that the introduction of an appropriate amount of WO3 oxide can effectively improve the 1.32 μm band fluorescence intensity through the enhanced multi-phonon relaxation (MPR) processes between the excited levels of Nd3+. The results indicate that the prepared Nd3+-doped tellurite glass with an appropriate amount of WO3 oxide is a potential gain medium applied for the O-band broad and high-gain fiber amplifier.

Spectroscopic studies of Dy3 + ion doped tellurite glasses for solid state lasers and white LEDs

NASA Astrophysics Data System (ADS)

Himamaheswara Rao, V.; Syam Prasad, P.; Mohan Babu, M.; Venkateswara Rao, P.; Satyanarayana, T.; Luís F., Santos; Veeraiah, N.

2018-01-01

Rare earth ion Dy3 +-doped tellurite glasses were synthesised in the system of (75-x)TeO2-15Sb2O3-10WO3-xDy2O3 (TSWD glasses). XRD and FTIR characterizations were used to find the crystalline and structural properties. The intensities of the electronic transitions and the ligand environment around the Dy3 + ion were determined using the Judd-Ofelt (J-O) theory on the absorption spectra of the glasses. The measured luminescence spectra exhibit intense emissions at 574 and 484 nm along with less intense emissions around 662 and 751 nm. Various radiative properties of the 4F9/2 excited level of Dy3 + ion were calculated for the glasses. Decay profiles were measured to find the life times and quantum efficiencies. Yellow to blue intensity ratio (Y/B), CIE chromaticity coordinates and correlated color temperature (CCT) values are calculated using the emission spectra to evaluate the emitted light. The obtained results suggest the utility of the glasses for potential yellow laser and white LED's applications.

Nd/sup 3 +/ fluorescence quantum-efficiency measurements with photoacoustics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosencwaig, A.; Hildum, E.A.

1981-04-01

We have investigated the use of photoacoustic techniques for obtaining absolute values of fluorescence quantum efficiencies in lightly doped Nd/sup 3 +/ laser materials. We have found that surface absorptions play an important role in gas-microphone measurements, and that thermal profiles are important in piezoelectric measurements. We have obtained fluorescence quantum efficiencies for Nd/sup 3 +/ in yttrium aluminum garnet, and in silicate and borate glasses that are in good agreement with lifetime measurements and Judd-Ofelt calculations.

Spectroscopy of Tb3+ ions in monoclinic KLu(WO4)2 crystal application of an intermediate configuration interaction theory

NASA Astrophysics Data System (ADS)

Loiko, Pavel; Volokitina, Anna; Mateos, Xavier; Dunina, Elena; Kornienko, Alexey; Vilejshikova, Elena; Aguiló, Magdalena; Díaz, Francesc

2018-04-01

The spectroscopic properties of Tb3+ ions in monoclinic KLu(WO4)2 double tungstate crystal are studied with polarized light. The absorption spectra in the visible, near- and mid-IR including the transitions to all lower-lying 7FJ (J = 0 … 5) excited states are measured. The maximum absorption cross-section for the 7F6 → 5D4 transition is 3.42 × 10-21 cm2 at 486.7 nm for light polarization E || Nm. The transition probabilities for Tb3+ ions are calculated within the Judd-Ofelt theory modified for the case of an intermediate configuration interaction (ICI). The radiative lifetime of the 5D4 state is 450 μs and the luminescence quantum yield is >90%. The polarized stimulated-emission cross-section spectra for all 5D4 → 7FJ (J = 0 … 6) emission channels are evaluated. The maximum σSE is 11.4 × 10-21 cm2 at 549.4 nm (for E || Nm). Tb3+:KLu(WO4)2 features high transition cross-sections for polarized light being promising for color-tunable visible lasers and imaging.

Spectroscopic investigation of zinc tellurite glasses doped with Yb3 + and Er3 + ions

NASA Astrophysics Data System (ADS)

Bilir, Gökhan; Kaya, Ayfer; Cinkaya, Hatun; Eryürek, Gönül

2016-08-01

This paper presents a detailed spectroscopic investigation of zinc tellurite glasses with the compositions (0.80 - x - y) TeO2 + (0.20) ZnO + xEr2O3 + yYb2O3 (x = 0, y = 0; x = 0.004, y = 0; x = 0, y = 0.05 and x = 0.004, y = 0.05 per moles). The samples were synthesized by the conventional melt quenching method. The optical absorption and emission measurements were conducted at room temperature to determine the spectral properties of lanthanides doped zinc tellurite glasses and, to study the energy transfer processes between dopant lanthanide ions. The band gap energies for both direct and indirect possible transitions and the Urbach energies were measured from the absorption spectra. The absorption spectra of the samples were analyzed by using the Judd-Ofelt approach. The effect of the ytterbium ions on the emission properties of erbium ions was investigated and the energy transfer processes between dopant ions were studied by measuring the up-conversion emission properties of the materials. The color quality parameters of obtained visible up-conversion emission were also determined as well as possibility of using the Er3 + glasses as erbium doped fiber amplifiers at 1.55 μm in infrared emission region.

Optical transitions of Ho(3+) in oxyfluoride glasses and upconversion luminescence of Ho(3+)/Yb(3+)-codoped oxyfluoride glasses.

PubMed

Feng, Li; Wu, Yinsu

2015-05-05

Optical properties of Ho(3+)-doped SiO2-BaF2-ZnF2 glasses have been investigated on the basis of the Judd-Ofelt theory. Judd-Ofelt intensity parameters, radiative transition probabilities, fluorescence branching ratios and radiative lifetimes have been calculated for different glass compositions. Upconversion emissions were observed in Ho(3+)/Yb(3+)-codoped SiO2-BaF2-ZnF2 glasses under 980nm excitation. The effects of composition, concentration of the doping ions, and excitation pump power on the upconversion emissions were also systematically studied. Copyright © 2015 Elsevier B.V. All rights reserved.

Optical transitions of Tm3+ in oxyfluoride glasses and compositional and thermal effect on upconversion luminescence of Tm3+/Yb3+-codoped oxyfluoride glasses.

PubMed

Feng, Li; Wu, Yinsu; Liu, Zhuo; Guo, Tao

2014-01-24

Optical properties of Tm(3+)-doped SiO2-BaF2-ZnF2 glasses have been investigated on the basis of the Judd-Ofelt theory. Judd-Ofelt intensity parameters, radiative transition probabilities, fluorescence branching ratios and radiative lifetimes have been calculated for different glass compositions. Upconversion emissions were observed in Tm(3+)/Yb(3+)-codoped SiO2-BaF2-ZnF2 glasses under 980 nm excitation. The effects of composition, concentration of the doping ions, temperature, and excitation pump power on the upconversion emissions were also systematically studied. Copyright © 2013 Elsevier B.V. All rights reserved.

An absorption spectral study of Nd (III) with glutathione (reduced), GSH in aqueous and aquated organic solvent in presence and absence of Zn (II)

NASA Astrophysics Data System (ADS)

Mehta, Jignasu P.; Bhatt, Prashant N.; Misra, Sudhindra N.

2003-02-01

The coordination chemistry of glutathione (reduced) GSH is of great importance as it acts as an excellent model system for the binding of metal ions. The GSH complexation with metal ions is involved in the toxicology of different metal ions. Its coordination behaviour for soft metal ions and hard metal ions is found different because of the structure of GSH and its different potential binding sites. We have studied two chemically dissimilar metal ions viz. Nd (III) being hard metal ion, which will prefer hard donor sites like carboxylic groups, and Zn (II) the soft metal ion more suited to peptide-NH and sulfhydryl groups. The absorption difference and comparative absorption spectroscopy involving 4f-4f transitions of the heterobimetallic complexation of GSH with Nd (III) and Zn (II) has been explored in aqueous and aquated organic solvents. The changes in the oscillator strengths of different 4f-4f bands and Judd-Ofelt intensity (Tλ) parameters determined experimentally is being used to investigate the complexation of GSH. The in vivo intracellular complexation of GSH with Ca (II) in presence of Zn (II) ion has been mimicked through Nd (III)-GSH-Zn (II) absorption spectral studies in vitro.

Electronic absorption spectral studies of Pr(III) chelates with some amino acids

NASA Astrophysics Data System (ADS)

Kachhawa, Chanchal; Solanki, Kanika; Bhandari, H. S.

2018-05-01

Investigations on Pr(III) systems with 1:1 metal-ligand stoichiometric ratio have been carried out in different solvents. β - Alanine, Taurine and anthranilic acid have been opted as ligands for the investigations. The Study is based on doped crystal phenomenon. The Slater-Condon, spin-orbit, nephelauxetic, bonding, Racah and Judd-Ofelt parameters have been explored during the study. Four bands for Pr(III) have been observed and recorded in the region 350 nm to 900nm. Partial regression method has been used for calculations. Use of computational chemistry has been explored in order to develop better and easier methods of calculations.

Spectroscopic properties of Er3+-doped fluorotellurite glasses containing various modifiers

NASA Astrophysics Data System (ADS)

Burtan-Gwizdała, Bożena; Reben, Manuela; Cisowski, Jan; Grelowska, Iwona; Yousef, El Sayed; Algarni, Hamed; Lisiecki, Radosław; Nosidlak, Natalia

2017-11-01

We have investigated the optical and spectroscopic properties of new Er3+-doped fluorotellurite glasses with the basic molar composition 75%TeO2-10%P2O5-10%ZnO-5%PbF2, modified by replacing 5%TeO2 by four various metal oxides, namely MgO, PbO, SrO and CdO. The ellipsometric data have provided a Sellmeier-type dispersion relation of the refractive index of the investigated glasses. The optical absorption edge has been described within the Urbach approach, while the absorption and fluorescence spectra have been analyzed in terms of the standard Judd-Ofelt theory along with the photoluminescence decay of the 4I13/2 and 4S3/2 levels of the Er3+ ion. The absorption and emission spectra of the 4I15/2 ↔ 4I13/2 infrared transition have been analyzed within the McCumber theory to yield the peak emission cross-section and figure of merit (FOM) for the amplifier gain. It appears that the glass containing MgO as a modifier is characterized by the largest FOM suggesting that the fluorotellurite matrix with this oxide can be a good novel host for Er3+ ion doping. Finally, we propose a new simple method to calculate the mean transition energy of the McCumber approach as the arithmetic average of the barycenter wavenumbers of absorption and emission spectra.

Optical properties of Nd3+ doped barium lithium fluoroborate glasses for near-infrared (NIR) emission

NASA Astrophysics Data System (ADS)

Mariselvam, K.; Arun Kumar, R.; Suresh, K.

2018-04-01

The neodymium doped barium lithium fluoroborate (Nd3+: BLFB) glasses with the chemical composition (70-x) H3BO3 - 10 Li2CO3 - 10 BaCO3- 5 CaF2-5 ZnO - x Nd2O3 (where x = 0.05, 0.1, 0.25, 0.5, 1, 2 in wt %) have been prepared by the conventional melt quenching technique and characterised through optical absorption, near infrared emission and decay-time measurements. The x-ray diffraction studies confirm the amorphous nature of the prepared glasses. The optical absorption spectra and emission spectra were recorded in the wavelength ranges of 190-1100 nm. The optical band gap (Eg) and Urbach energy (ΔE) values were calculated from the absorption spectra. The Judd-Ofelt intensity parameters were determined from the systematic analysis of the absorption spectrum of neodymium ions in the prepared glasses. The emission spectra exhibited three prominent peaks at 874, 1057, 1331 nm corresponding to the 4F3/2 → 4I9/2, 11/2, 13/2 transitions levels respectively in the near infrared region. The emission intensity of the 4F3/2 → 4I11/2 transition increases with the increase in neodymium concentration up to 0.5 wt% and the concentration quenching mechanism was observed for 1 wt% and 2 wt% concentrations. The lifetime of the 4F3/2 level was found to decrease with increasing Nd3+ ion concentration. The nature of energy transfer process was a single exponential curve which was studied for all the glasses and analysed.

Optical spectroscopy of BaY2F8:Dy3+

NASA Astrophysics Data System (ADS)

Parisi, Daniela; Toncelli, Alessandra; Tonelli, Mauro; Cavalli, Enrico; Bovero, Enrico; Belletti, Alessandro

2005-05-01

The optical spectra of the BaY2F8:Dy3+ laser crystal have been investigated in the 5000-30 000 cm-1 range. The Judd-Ofelt parametrization scheme has been applied to the analysis of the room temperature absorption spectra. The calculated radiative lifetime of the 4F9/2 state is 1.48 ms. Decay curves of the visible emission have been measured as a function of the temperature for two different Dy3+ concentrations (0.5 and 4.4%). In the case of the diluted crystal the emission profiles are single exponential with decay times consistent with the radiative lifetime. The decay curves of the concentrated crystal are not exponential and they obey the Inokuti-Hirayama model for energy transfer for an electric dipole-dipole interaction in the absence of diffusion among the donors. The emission cross section at 575 nm has been estimated using the integral β-τ method in order to assess the potentialities of this compound as a solid state laser material in the yellow region.

Er{sup 3+}-doped strontium lithium bismuth borate glasses for broadband 1.5 {mu}m emission - optical properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rajesh, D.; Balakrishna, A.; Ratnakaram, Y. C.

2013-02-05

Strontium lithium bismuth borate glasses (SLBiB) doped with various concentrations of Er{sup 3+} were prepared using conventional melt quench technique and investigated their optical properties. The amorphous nature of the prepared glass samples was confirmed by X-ray diffraction and SEM analysis. Optical properties were studied by measuring the optical absorption and near infrared luminescence spectra at room temperature. Judd-Ofelt (J-O) theory has been applied for the f.f transitions of Er{sup 3+} ions to evaluate J-O intensity parameters, {Omega}{lambda} ({lambda} = 2, 4 and 6). Using the J-O intensity parameters, radiative properties such as transition probabilities (A{sub R}), branching ratios ({beta})more » and radiative lifetimes ({tau}) are estimated for certain transitions. From the emission spectra, peak emission-cross sections ({sigma}{sub p}) and products of stimulated emission cross-section and full width at half maximum ({sigma}{sub p} Multiplication-Sign FWHM) were calculated for the observed emission transition, {sup 4}I{sub 13/2}{yields}{sup 4}I{sub 15/2}.« less

UV light induced red emission in Eu3+-doped zincborophosphate glasses

NASA Astrophysics Data System (ADS)

Hima Bindu, S.; Siva Raju, D.; Vinay Krishna, V.; Rajavardhana Rao, T.; Veerabrahmam, K.; Linga Raju, Ch.

2016-12-01

This paper reports the preparation of transparent zincborophosphate (ZBP) glasses doped with Eu3+ ions by the conventional melt quenching technique. The prepared glasses were characterized using powder XRD, FTIR, optical absorption, photoluminescence and decay curves. Judd-Ofelt (JO) intensity parameters calculated under various constraints using absorption and emission spectra. These JO intensity parameters have been used to predict the radiative properties such as radiative life time, branching ratios and stimulated emission cross section of the 5D0→7FJ (J = 0-4) transitions. Decay curves for the 5D0 level of Eu3+ ions shows single exponential for all concentrations. Luminescence properties of 5D0→7F2 transitions of Eu3+ions have revealed that the present ZBP:Eu3+ glasses have significant in optical applications at around 613 nm. An intense red luminescence has been observed due to 5D0→7F2 transition of Eu3+ ion in these glasses. From the CIE color coordinate diagram, it is observed that the present glass system is prominent material for red emission.

Luminescence properties of Dy3+ doped lithium zinc borosilicate glasses for photonic applications.

PubMed

Jaidass, N; Krishna Moorthi, C; Mohan Babu, A; Reddi Babu, M

2018-03-01

Different concentrations of Dy 3+ ions doped lithium zinc borosilicate glasses of chemical composition (30-x) B 2 O 3 - 25 SiO 2 -10 Al 2 O 3 -30 LiF - 5 ZnO - x Dy 2 O 3 (x = 0, 0.1, 0.5, 1.0 and 2.0 mol%) were prepared by the melt quenching technique. The prepared glasses were investigated through X-ray diffraction, optical absorption, photoluminescence and decay measurements. Intensities of absorption bands expressed in terms of oscillator strengths (f) were used to determine the Judd-Ofelt (J-O) intensity parameters Ω λ (λ = 2, 4 and 6). The evaluated J-O parameters were used to determine the radiative parameters such as transition probabilities (A R ), total transition probability rate (A T ), radiative lifetime (τ R ) and branching ratios (β R ) for the excited 4 F 9/2 level of Dy 3+ ions. The chromaticity coordinates determined from the emission spectra were found to be located in the white light region of CIE chromaticity diagram.

Nd3+-doped TeO2-PbF2-AlF3 glasses for laser applications

NASA Astrophysics Data System (ADS)

Lalla, E. A.; Rodríguez-Mendoza, U. R.; Lozano-Gorrín, A. D.; Sanz-Arranz, A.; Rull, F.; Lavín, V.

2016-01-01

A study of the optical properties of Nd3+ ion in TeO2-PbF2-AlF3 glasses has been carried out for different Nd3+ concentrations. Based on the Judd-Ofelt theory, intensity parameters and radiative properties were determined from the absorption spectra. Focusing on the suitability of this host for laser applications, the spectroscopic quality factor χ was obtained with a value of 1.07, a value of the order of other compositions proposed as laser hosts. For the most intense emission corresponding with the 4F3/2 → 4I11/2 transition (1.06 μm), the absorption and emission and have been calculated with values of 1.20 × 10-20 cm2, 2.08 × 10-20 cm2. A positive value for the gain cross-sections has been found for a population inversion factor γ of 0.4 in the spectral range from 1060 to 1110 nm. All these results suggest the potentially use of this system as a laser host.

Rich magneto-absorption spectra of AAB-stacked trilayer graphene.

PubMed

Do, Thi-Nga; Shih, Po-Hsin; Chang, Cheng-Peng; Lin, Chiun-Yan; Lin, Ming-Fa

2016-06-29

A generalized tight-binding model is developed to investigate the feature-rich magneto-optical properties of AAB-stacked trilayer graphene. Three intragroup and six intergroup inter-Landau-level (inter-LL) optical excitations largely enrich magneto-absorption peaks. In general, the former are much higher than the latter, depending on the phases and amplitudes of LL wavefunctions. The absorption spectra exhibit single- or twin-peak structures which are determined by quantum modes, LL energy spectra and Fermion distribution. The splitting LLs, with different localization centers (2/6 and 4/6 positions in a unit cell), can generate very distinct absorption spectra. There exist extra single peaks because of LL anti-crossings. AAB, AAA, ABA, and ABC stackings considerably differ from one another in terms of the inter-LL category, frequency, intensity, and structure of absorption peaks. The main characteristics of LL wavefunctions and energy spectra and the Fermi-Dirac function are responsible for the configuration-enriched magneto-optical spectra.

Tm3+/Yb3+ co-doped tellurite glass with silver nanoparticles for 1.85 μm band laser material

NASA Astrophysics Data System (ADS)

Huang, Bo; Zhou, Yaxun; Cheng, Pan; Zhou, Zizhong; Li, Jun; Jin, Wei

2016-10-01

Tm3+/Yb3+ co-doped tellurite glasses with different silver nanoparticles (Ag NPs) concentrations were prepared using the conventional melt-quenching technique and characterized by the UV/Vis/NIR absorption spectra, 1.85 μm band fluorescence emission spectra, transmission electron microscopy (TEM) images, differential scanning calorimeter (DSC) curves and X-ray diffraction (XRD) patterns to investigate the effects of Ag NPs on the 1.85 μm band spectroscopic properties of Tm3+ ions, thermal stability and structural nature of glass hosts. Under the excitation of 980 nm laser diode (LD), the 1.85 μm band fluorescence emission of Tm3+ ions enhances significantly in the presence of Ag NPs with average diameter of ∼8 nm and local surface Plasmon resonance (LSPR) band of ∼590 nm, which is mainly attributed to the increased local electric field induced by Ag NPs at the proximity of doped rare-earth ions on the basis of energy transfer from Yb3+ to Tm3+ ions. An improvement by about 110% of fluorescence intensity is observed in the Tm3+/Yb3+ co-doped tellurite glass containing 0.5 mol% amount of AgNO3 while the prepared glass samples possess good thermal stability and amorphous structural nature. Meanwhile, the Judd-Ofelt intensity parameters Ωt (t = 2,4,6), spontaneous radiative transition probabilities, fluorescence branching ratios and radiative lifetimes of relevant excited levels of Tm3+ ions were determined based on the Judd-Ofelt theory to reveal the enhanced effects of Ag NPs on the 1.85 μm band spectroscopic properties, and the energy transfer micro-parameters and phonon contribution ratios were calculated based on the non-resonant energy transfer theory to elucidate the energy transfer mechanism between Yb3+ and Tm3+ ions. The present results indicate that the prepared Tm3+/Yb3+ co-doped tellurite glass with an appropriate amount of Ag NPs is a promising lasing media applied for 1.85 μm band solid-state lasers and amplifiers.

Luminescence properties of Eu3+ doped CdF2 single crystals

NASA Astrophysics Data System (ADS)

Boubekri, H.; Diaf, M.; Guerbous, L.; Jouart, J. P.

2018-04-01

This paper reports the photoluminescence properties of Eu3+ doped CdF2 single crystals. The pulled crystals were prepared by use of the Bridgman technique from a vacuum furnace in fluoride atmosphere. Absorption, excitation and emission spectra of the crystal doped with three Eu3+ concentrations (0.02%, 0.1% and 0.6% mol.) were recorded at room temperature. The emission spectra exhibit a strong yellow and red emissions in the spectral range 550-720 nm which are assigned to 5D0 → 7FJ (J = 1, 2, 4) transitions and a weak infrared emission around 816 nm corresponding to 5D0 → 7F6 transition. The magnetic dipole emission (5D0 → 7F1) is the most intense for each Eu3+ concentration. The Judd-Ofelt intensity parameters Ω2, Ω4, Ω6 for 4f-4f transitions of Eu3+ ions were computed from the emission spectra using the 5D0 → 7FJ (J = 1, 2, 4, 6) transitions. Via these phenomenological intensity parameters, the spontaneous emission probabilities, branching ratios, radiative lifetimes, quantum efficiencies and emission cross-sections for the main Eu3+ emitting levels are evaluated.

Spectroscopic studies of Dy3+ ion doped tellurite glasses for solid state lasers and white LEDs.

PubMed

V, Himamaheswara Rao; P, Syam Prasad; M, Mohan Babu; P, Venkateswara Rao; T, Satyanarayana; Luís F, Santos; N, Veeraiah

2018-01-05

Rare earth ion Dy 3+ -doped tellurite glasses were synthesised in the system of (75-x)TeO 2 -15Sb 2 O 3 -10WO 3 -xDy 2 O 3 (TSWD glasses). XRD and FTIR characterizations were used to find the crystalline and structural properties. The intensities of the electronic transitions and the ligand environment around the Dy 3+ ion were determined using the Judd-Ofelt (J-O) theory on the absorption spectra of the glasses. The measured luminescence spectra exhibit intense emissions at 574 and 484nm along with less intense emissions around 662 and 751nm. Various radiative properties of the 4 F 9/2 excited level of Dy 3+ ion were calculated for the glasses. Decay profiles were measured to find the life times and quantum efficiencies. Yellow to blue intensity ratio (Y/B), CIE chromaticity coordinates and correlated color temperature (CCT) values are calculated using the emission spectra to evaluate the emitted light. The obtained results suggest the utility of the glasses for potential yellow laser and white LED's applications. Copyright © 2017 Elsevier B.V. All rights reserved.

Luminescence performance of Eu{sup 3+} doped lead free zinc phosphate glasses for red emission

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prasad, V. Reddy; Babu, S.; Ratnakaram, Y. C., E-mail: ratnakaramsvu@gmail.com

2016-05-06

Luminescence performance of zinc phosphate glasses containing Eu{sup 3+} ion with the chemical compositions (60-x)NH{sub 4}H{sub 2}PO{sub 4}-20ZnO-10BaF{sub 2}-10NaF-x Eu{sub 2}O{sub 3} (where x = 0.2, 0.5, 1.0 and 1.5 mol%) has been studied. The Fourier Transform Infrared Spectroscopy (FT-IR) shows several vibrations bands. Luminescence spectra of these glasses exhibit characteristic emission of Eu{sup 3+} ion with an intense and most prominent red emission (614 nm) which is attributed to {sup 5}D{sub 0}→{sup 7}F{sub 2} transition. Judd-Ofelt (Ω{sub 2}, Ω{sub 4}) parameters have been evaluated from the luminescence intensity ratios of {sup 5}D{sub 0}→{sup 7}F{sub J} (where J = 2 and 4)more » to {sup 5}D{sub 0}→{sup 7}F{sub 1} transition as well as absorption spectra under different constraints. Using J-O parameters and excitation spectra, the radiative parameters are calculated for different Eu{sup 3+} doped glasses.« less

Creating semiconductor metafilms with designer absorption spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Soo Jin; Fan, Pengyu; Kang, Ju-Hyung

The optical properties of semiconductors are typically considered intrinsic and fixed. Here we leverage the rapid developments in the field of optical metamaterials to create ultrathin semiconductor metafilms with designer absorption spectra. We show how such metafilms can be constructed by placing one or more types of high-index semiconductor antennas into a dense array with subwavelength spacings. It is argued that the large absorption cross-section of semiconductor antennas and their weak near-field coupling open a unique opportunity to create strongly absorbing metafilms whose spectral absorption properties directly reflect those of the individual antennas. Using experiments and simulations, we demonstrate thatmore » near-unity absorption at one or more target wavelengths of interest can be achieved in a sub-50-nm-thick metafilm using judiciously sized and spaced Ge nanobeams. The ability to create semiconductor metafilms with custom absorption spectra opens up new design strategies for planar optoelectronic devices and solar cells.« less

Optical properties of Nd3+ doped bismuth zinc borate glasses

NASA Astrophysics Data System (ADS)

Shanmugavelu, B.; Venkatramu, V.; Ravi Kanth Kumar, V. V.

2014-03-01

Glasses with compositions of (100-x) (Bi2ZnOB2O6) - x Nd2O3 (where x = 0.1, 0.3, 0.5, 1 and 2 mol%) were prepared by melt quenching method and characterized through optical absorption, emission and decay curve measurements. Optical absorption spectra have been analyzed using Judd-Ofelt theory. The emission spectra exhibit three peaks at 919, 1063 and 1337 nm corresponding to 4F3/2 to 4I9/2, 4I11/2 and 4I13/2 transitions in the near infrared region. The emission intensity of the 4F3/2 to 4I11/2 transition increases with increase of Nd3+ concentration up to 1 mol% and then concentration quenching is observed for 2 mol% of Nd3+ concentration. The lifetimes for the 4F3/2 level are found to decrease with increase in Nd2O3 concentration in the glasses. The decay curves of the glass up to 0.3 mol% of Nd3+ exhibit single exponential nature and thereafter the curves become nonexponential nature (0.5, 1 and 2 mol%). The nonexponential curve has been fitted to the Inokuti-Hirayama model to understand the nature of energy transfer process.

Optical characterization of Tm(3+) doped Bi2O3-GeO2-Ga2O3 glasses in absence and presence of BaF2.

PubMed

Han, Kexuan; Zhang, Peng; Wang, Shunbin; Guo, Yanyan; Zhou, Dechun; Yu, Fengxia

2016-08-10

In this paper, Two new Bi2O3-GeO2-Ga2O3 glasses (one presence of BaF2) doped with 1mol% Tm2O3 were prepared by melt-quenching technique. Differential thermal analysis (DTA), the absorption, Raman, IR spectra and fluorescence spectra were measured. The Judd-Ofelt intensity parameters, emission cross section, absorption cross section, and gain coefficient of Tm(3+) ions were comparatively investigated. After the BaF2 introduced, the glass showed a better thermal stability, lower phonon energy and weaker OH(-) absorption coefficient, meanwhile, a larger ~1.8 μm emission cross section σem (7.56 × 10(-21) cm(2)) and a longer fluorescence lifetime τmea (2.25 ms) corresponding to the Tm(3+): (4)F3 → (3)H6 transition were obtained, which is due to the addition of fluoride in glass could reduce the quenching rate of hydroxyls and raise the cross-relaxation ((3)H6 + (3)H4 → (3)F4 + (3)F4) rate. Our results suggest that the Tm(3+) doped Bi2O3-GeO2-Ga2O3 glass with BaF2 might be potential to the application in efficient ~1.8 μm lasers system.

Spectroscopic investigation of zinc tellurite glasses doped with Yb(3+) and Er(3+) ions.

PubMed

Bilir, Gökhan; Kaya, Ayfer; Cinkaya, Hatun; Eryürek, Gönül

2016-08-05

This paper presents a detailed spectroscopic investigation of zinc tellurite glasses with the compositions (0.80-x-y) TeO2+(0.20) ZnO+xEr2O3+yYb2O3 (x=0, y=0; x=0.004, y=0; x=0, y=0.05 and x=0.004, y=0.05 per moles). The samples were synthesized by the conventional melt quenching method. The optical absorption and emission measurements were conducted at room temperature to determine the spectral properties of lanthanides doped zinc tellurite glasses and, to study the energy transfer processes between dopant lanthanide ions. The band gap energies for both direct and indirect possible transitions and the Urbach energies were measured from the absorption spectra. The absorption spectra of the samples were analyzed by using the Judd-Ofelt approach. The effect of the ytterbium ions on the emission properties of erbium ions was investigated and the energy transfer processes between dopant ions were studied by measuring the up-conversion emission properties of the materials. The color quality parameters of obtained visible up-conversion emission were also determined as well as possibility of using the Er(3+) glasses as erbium doped fiber amplifiers at 1.55μm in infrared emission region. Copyright © 2016 Elsevier B.V. All rights reserved.

An Inverse Modeling Approach to Estimating Phytoplankton Pigment Concentrations from Phytoplankton Absorption Spectra

NASA Technical Reports Server (NTRS)

Moisan, John R.; Moisan, Tiffany A. H.; Linkswiler, Matthew A.

2011-01-01

Phytoplankton absorption spectra and High-Performance Liquid Chromatography (HPLC) pigment observations from the Eastern U.S. and global observations from NASA's SeaBASS archive are used in a linear inverse calculation to extract pigment-specific absorption spectra. Using these pigment-specific absorption spectra to reconstruct the phytoplankton absorption spectra results in high correlations at all visible wavelengths (r(sup 2) from 0.83 to 0.98), and linear regressions (slopes ranging from 0.8 to 1.1). Higher correlations (r(sup 2) from 0.75 to 1.00) are obtained in the visible portion of the spectra when the total phytoplankton absorption spectra are unpackaged by multiplying the entire spectra by a factor that sets the total absorption at 675 nm to that expected from absorption spectra reconstruction using measured pigment concentrations and laboratory-derived pigment-specific absorption spectra. The derived pigment-specific absorption spectra were further used with the total phytoplankton absorption spectra in a second linear inverse calculation to estimate the various phytoplankton HPLC pigments. A comparison between the estimated and measured pigment concentrations for the 18 pigment fields showed good correlations (r(sup 2) greater than 0.5) for 7 pigments and very good correlations (r(sup 2) greater than 0.7) for chlorophyll a and fucoxanthin. Higher correlations result when the analysis is carried out at more local geographic scales. The ability to estimate phytoplankton pigments using pigment-specific absorption spectra is critical for using hyperspectral inverse models to retrieve phytoplankton pigment concentrations and other Inherent Optical Properties (IOPs) from passive remote sensing observations.

Spectral properties of Er3+/Yb3+ codoped tungsten-tellurite glasses.

PubMed

Shen, Xiang; Nie, QiuHua; Xu, TieFeng; Gao, Yuan

2005-07-01

The spectral properties of Er3+/Yb3+ codoped tungsten-tellurite (WT) glasses have been investigated. The measured absorption spectra are analyzed by Judd-Ofelt theory. The compositional change of intensity parameter omega2 is attributed to the change in the covalency between the Er3+ and oxygen ions, the asymmetry in the local structures around the Er3+ ions can be neglected. The lifetimes of 4I(13/2) level of Er3+ in WT glasses are measured and comparable with other TeO2-based glasses. The stimulated emission cross-section is calculated based on McCumber theory. The fluorescence full width at half maximum (FWHM) and the emission cross-section (sigma(peak)) of the 4I(13/2) --> 4I(15/2) transition of Er3+ in different glass hosts have been compared. The suitability of such WT glasses as host materials for 1.5 microm broadband amplification is discussed.

Enhanced broadband near-infrared luminescence from Pr3+-doped tellurite glass with silver nanoparticles

NASA Astrophysics Data System (ADS)

Cheng, Pan; Zhou, Yaxun; Zhou, Minghan; Su, Xiue; Zhou, Zizhong; Yang, Gaobo

2017-11-01

Pr3+-doped tellurite glasses containing metallic silver NPs were synthesized by the conventional melt-quenching technique. Structural, thermal and optical properties of the synthesized glass samples were characterized by X-Ray diffraction (XRD) curves, Raman spectra, differential scanning calorimeter (DSC) curves, transmission electron microscopy (TEM) images, UV/Vis/NIR absorption and near-infrared fluorescence emission spectra. The XRD curves confirmed the amorphous structural nature of the synthesized glasses, the Raman spectra identified the presence of different vibrational groups, the DSC curves verified the good thermal stability, and the TEM images revealed the nucleated silver NPs with average diameter about 10 nm dispersed in the glass matrix and its surface Plasmon resonance (SPR) absorption band was located at around 510 nm. Besides, Judd-Ofelt intensity parameters Ωt (t = 2, 4, 6) and other important spectroscopic parameters like transition probability, radiative lifetime, branching ratio were calculated to evaluate the radiative properties of Pr3+ levels from the measured optical absorption spectra. It was found that Pr3+-doped tellurite glasses could emit an ultra-broadband fluorescence extending from 1250 to 1650 nm under the 488 nm excitation, and this fluorescence emission increased further with the introduction of silver NPs. The enhanced fluorescence was mainly attributed to the increased local electric field around Pr3+ induced by silver NPs. The present results demonstrate that Pr3+-Ag codoped tellurite glass is a promising candidate for the near-infrared band ultra-broadband fiber amplifiers covering the expanded low-loss communication window.

Soft x-ray absorption spectra of ilmenite family.

PubMed

Agui, A; Mizumaki, M; Saitoh, Y; Matsushita, T; Nakatani, T; Fukaya, A; Torikai, E

2001-03-01

We have carried out soft x-ray absorption spectroscopy to study the electronic structure of ilmenite family, such as MnTiO3, FeTiO3, and CoTiO3 at the soft x-ray beamline, BL23SU, at the SPring-8. The Ti and M L2,3 absorption spectra of MTiO3 (M=Mn, Fe, and Co) show spectra of Ti4+ and M2+ electron configurations, respectively. Except the Fe L2,3 spectrum, those spectra were understood within the O(h) symmetry around the transition metal ions. The Fe L3-edge spectrum clearly shows a doublet peak at the L3 edge, which is attributed to Fe2+ state, moreover the very high-resolution the L-edge spectra of transition metals show fine structures. The spectra of those ilmenites are compared.

Red light emission from europium doped zinc sodium bismuth borate glasses

NASA Astrophysics Data System (ADS)

Hegde, Vinod; Viswanath, C. S. Dwaraka; Upadhyaya, Vyasa; Mahato, K. K.; Kamath, Sudha D.

2017-12-01

Zinc sodium bismuth borate (ZNBB) glasses doped with different concentrations of europium were prepared by conventional melt quenching method and characterized through the measurements of density, refractive index, X-ray diffraction (XRD), Fourier Transform Infrared (FTIR) spectra, optical absorption, luminescence and radiative lifetimes. FTIR spectra showed seven characteristic peaks of bismuth and borate functional groups in the range of 400-1600 cm-1. The optical band gap and bonding parameters have been calculated from absorption spectra. Photoluminescence spectra recorded in the visible region with 394 nm excitation are used to calculate the Judd-Ofelt (JO) intensity parameters (Ω2 and Ω4). The JO intensity parameters have been used to calculate the radiative parameters such as branching ratio (β), stimulated emission cross-section (σse), transition probability (A) for the fluorescent level of 5D0→7F2. Decay rates through single exponential are used to calculate the lifetime (τm) of the meta-stable state 5D0 of (Eu3+ ion) these glasses. The radiative parameters measured for all these glasses show 0.7 mol% europium doped zinc sodium bismuth borate glass 5D0→7F2 transition has the potential for red laser applications. The quality of the colour emitted by the present glasses are estimated quantitatively by CIE chromaticity coordinates, which confirms the suitability of these glasses as a red emitting material for field emission technologies and LEDs.

Spectroscopic investigations on Pr³+ and Nd³+ doped strontium-lithium-bismuth borate glasses.

PubMed

Rajesh, D; Balakrishna, A; Seshadri, M; Ratnakaram, Y C

2012-11-01

Spectroscopic investigations on different concentrations (0.1, 0.5, 1.0, 1.5 and 2.0mol%) of Pr(3+) and Nd(3+) doped strontium lithium bismuth borate glasses have been done. X-ray diffraction, SEM with EDS, absorption and luminescence spectra were recorded for all the glass matrices and analyzed. X-ray diffraction profiles and SEM images conformed amorphous nature of investigated glass samples. EDS spectra of host glass and Pr(3+)doped glass matrices gave information about the chemical composition of glass samples. From the absorption spectra of Pr(3+) and Nd(3+) ions, Judd-Ofelt (J-O) intensity parameters (Ω(λ),λ=2, 4 and 6) have been calculated and compared with other glass matrices. The emission characteristics such as radiative lifetimes (τ(R)), measured and calculated branching ratios (β) and stimulated emission cross-sections (σ(P)) have been obtained for the observed emission transitions of Pr(3+) and Nd(3+) ions in the above glass matrix for all the concentrations. From the emission spectra of Pr(3+) and Nd(3+) doped glass matrices, the effect of concentration on the quenching of intensity of (1)D(2)→(3)H(4) transition of Pr(3+) ion and (4)F(3/2)→(4)I(9/2), (4)I(11/2) and (4)I(13/2) transitions of Nd(3+) have been studied and discussed. Copyright © 2012 Elsevier B.V. All rights reserved.

Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring

DTIC Science & Technology

2016-03-31

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9675 Absorption-Edge-Modulated Transmission Spectra for Water Contaminant ...ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring...Unlimited Unclassified Unlimited 35 Samuel G. Lambrakos (202) 767-2601 Monitoring of contaminants associated with specific water resources using

Investigation of the Fisheries of Africa, Buck, and Judd Lakes, Louisiana.

DTIC Science & Technology

1987-10-01

D-A188 978 INVESTIGATION OF THE FISHERIES VVW NJ 7 LAKES LOUISIA A(U) ARMY ENGINEER UATERWiAYS EXPERIMENT STATION VICKSBURG MS ENVIR L G SANDERS ET...MISCELLANEOUS PAPER EL-87-10 INVESTIGATION OF THE FISHERIES OF AFRICA, S BUCK, AND JUDD LAKES, LOUISIANA by AD-A188 978 Larry G. Sanders, John A...0060 ELEMENT NO. NO NO. rCCESSION NO 11 TITLE (Include Security Classification) Investigation of the Fisheries of Africa, Buck, and Judd Lakes

Optical properties of Er 3+/Yb 3+-codoped transparent PLZT ceramic

NASA Astrophysics Data System (ADS)

Zheng, Zhiqiang; Li, Xiaoyan; Liu, Jing; Feng, Zhuohong; Li, Baozeng; Yang, Jiwen; Li, Kewen; Jiang, Hua; Chen, Xuesheng; Xie, Jianping; Ming, Hai

2008-01-01

Optical absorption and emission spectra of Er 3+/Yb 3+ ions in PLZT (Pb 1-xLa xZr yTi 1-yO 3) ceramic have been studied. Based on the Judd-Ofelt (J-O) theory, the J-O intensity parameters were calculated to be Ω2=2.021×10 -20 cm 2, Ω4=0.423×10 -20 cm 2, Ω6=0.051×10 -20 cm 2 from the absorption spectrum of Er 3+/Yb 3+-codoped PLZT. The J-O intensity parameters have been used to calculate the radiative lifetimes and the branching ratios for some excited 4I 13/2, 4I 11/2, 4I 9/24F 9/2, and 4S 3/2 levels of Er 3+ ion. The stimulated emission cross-section (8.24×10 -21 cm 2) was evaluated for the 4I 13/2→ 4I 15/2 transition of Er 3+. The upconversion emissions at 538, 564, and 666 nm have been observed in Er 3+/Yb 3+-codoped PLZT by exciting at 980 nm, and their origins were identified and analyzed.

Investigation of luminescence and laser transition of Dy3+ ion in P2O5sbnd PbOsbnd Bi2O3sbnd R2O3 (R = Al, Ga, In) glasses

NASA Astrophysics Data System (ADS)

Ram, G. Chinna; Narendrudu, T.; Suresh, S.; Kumar, A. Suneel; Rao, M. V. Sambasiva; Kumar, V. Ravi; Rao, D. Krishna

2017-04-01

P2O5sbnd PbOsbnd Bi2O3sbnd R2O3 (R = Al, Ga, In) glasses doped with Dy2O3 were prepared by melt quenching technique. The prepared glasses were characterized by XRD, optical absorption, FTIR, luminescence studies. Judd-Ofelt parameters have been evaluated for three glass systems from optical absorption spectra and in turn radiative parameters for excited luminescent levels of Dy3+ ion are also calculated. Emission cross section and branching ratio values are observed to high for 6H13/2 level for Dy3+ ion. The yellow to blue intensity ratios and CIE chromaticity coordinates were calculated. Decay curves exhibit non exponential behavior. Quantum efficiency of prepared glasses was measured by using radiative and calculated life times. IR studies, J-O parameters and Y/B ratio values indicate that more asymmetry around Dy3+ ions in Ga2O3 mixed glass was observed. Chromaticity coordinates lie near ideal white light region. These coordinates and CCT values have revealed that all the prepared glasses emit quality white light especially the glasses mixed with Ga2O3 are suitable for development of white LEDs.

Gigahertz-peaked Spectra Pulsars and Thermal Absorption Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kijak, J.; Basu, R.; Lewandowski, W.

2017-05-10

We present the results of our radio interferometric observations of pulsars at 325 and 610 MHz using the Giant Metrewave Radio Telescope. We used the imaging method to estimate the flux densities of several pulsars at these radio frequencies. The analysis of the shapes of the pulsar spectra allowed us to identify five new gigahertz-peaked spectra (GPS) pulsars. Using the hypothesis that the spectral turnovers are caused by thermal free–free absorption in the interstellar medium, we modeled the spectra of all known objects of this kind. Using the model, we were able to put some observational constraints on the physicalmore » parameters of the absorbing matter, which allows us to distinguish between the possible sources of absorption. We also discuss the possible effects of the existence of GPS pulsars on future search surveys, showing that the optimal frequency range for finding such objects would be from a few GHz (for regular GPS sources) to possibly 10 GHz for pulsars and radio magnetars exhibiting very strong absorption.« less

Spectroscopic studies of Nd3+ doped lead tungsten tellurite glasses for the NIR emission at 1062 nm

NASA Astrophysics Data System (ADS)

Venkateswarlu, M.; Mahamuda, Sk.; Swapna, K.; Prasad, M. V. V. K. S.; Srinivasa Rao, A.; Mohan Babu, A.; Shakya, Suman; Vijaya Prakash, G.

2015-01-01

Lead Tungsten Tellurite (LTT) glasses doped with different concentrations of Nd3+ ions were prepared by using the melt quenching technique to study the absorption, emission and decay spectral profiles with an aim to understand the lasing potentialities of these glasses. From the absorption spectra, the Judd-Ofelt (J-O) parameters are evaluated and in turn used to calculate the transition probability (AR), total transition probability (AT), radiative lifetime (τR) and branching ratios (βR) for prominent emission levels of Nd3+. The emission spectra recorded for LTT glasses gives three emission transitions 4F3/2 → 4I9/2, 4F3/2 → 4I11/2 and 4F3/2 → 4I13/2 for which effective band widths (ΔλP) and stimulated emission cross-sections (σse) are evaluated. Branching ratios (βR) measured for all the LTT glasses show that 4F3/2 → 4I11/2 transition is quite suitable for lasing applications. The intensity of emission spectra increases with increase in the concentrations of Nd3+ up to 1.0 mol% and beyond concentration quenching is observed. Relatively higher emission cross-sections and branching ratios observed for the present LTT glasses over the reported glasses suggests the feasibility of using LTT glasses for infrared laser applications. From the absorption, emission and decay spectral measurements, it was found that 1.0 mol% of Nd3+ ion concentration is aptly suitable for LTT glasses to give a strong NIR laser emission at 1062 nm.

Optical spectroscopy of lanthanide ions in ZnO-TeO2 glasses.

PubMed

Rolli, R; Wachtler, K; Wachtler, M; Bettinelli, M; Speghini, A; Ajò, D

2001-09-01

Zinc tellurite glasses of compositions 19ZnO-80TeO2-1Ln2O3 with Ln = Eu, Er, Nd and Tm were prepared by melt quenching. The absorption spectra were measured and from the experimental oscillator strengths of the f-->f transitions the Judd-Ofelt parameters ohm(lambda) were obtained. The values of the ohm(lambda) parameters are in the range usually observed for oxide glasses. For Nd3+ and Er3+, luminescence spectra in the near infrared were measured and the stimulated emission cross sections sigma(p) were evaluated for some laser transitions. The high values of sigma(p), especially for Nd3+, make them possible candidates for optical applications. Fluorescence line narrowing (FLN) spectra of the Eu3+ doped glass were measured at 20 K, and the energies of the Stark components of the 7F1 and 7F2 states were obtained. A crystal field analysis was carried out assuming a C2v site symmetry. The behaviour of the crystal field ratios B22/B20 and B44/B40 agrees reasonably well with the values calculated using the geometric model proposed by Brecher and Riseberg. The crystal field strength at the Eu3+ sites appears to be very low compared to other oxide glasses.

Theoretical Prediction of Si 2–Si 33 Absorption Spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Li -Zhen; Lu, Wen -Cai; Qin, Wei

Here, the optical absorption spectra of Si 2–Si 33 clusters were systematically studied by a time-dependent density functional theory approach. The calculations revealed that the absorption spectrum becomes significantly broad with increasing cluster size, stretching from ultraviolet to the infrared region. The absorption spectra are closely related to the structural motifs. With increasing cluster size, the absorption intensity of cage structures gradually increases, but the absorption curves of the prolate and the Y-shaped structures are very sensitive to cluster size. If the transition energy reaches ~12 eV, it is noted that all the clusters have remarkable absorption in deep ultravioletmore » region of 100–200 nm, and the maximum absorption intensity is ~100 times that in the visible region. Further, the optical responses to doping in the Si clusters were studied.« less

Theoretical Prediction of Si 2–Si 33 Absorption Spectra

DOE PAGES

Zhao, Li -Zhen; Lu, Wen -Cai; Qin, Wei; ...

2017-07-07

Here, the optical absorption spectra of Si 2–Si 33 clusters were systematically studied by a time-dependent density functional theory approach. The calculations revealed that the absorption spectrum becomes significantly broad with increasing cluster size, stretching from ultraviolet to the infrared region. The absorption spectra are closely related to the structural motifs. With increasing cluster size, the absorption intensity of cage structures gradually increases, but the absorption curves of the prolate and the Y-shaped structures are very sensitive to cluster size. If the transition energy reaches ~12 eV, it is noted that all the clusters have remarkable absorption in deep ultravioletmore » region of 100–200 nm, and the maximum absorption intensity is ~100 times that in the visible region. Further, the optical responses to doping in the Si clusters were studied.« less

Spectroscopic characterisation of Er-doped LuVO4 single crystals

NASA Astrophysics Data System (ADS)

Lisiecki, R.; Dominiak-Dzik, G.; Solarz, P.; Strzęp, A.; Ryba-Romanowski, W.; Łukasiewicz, T.

2010-12-01

The LuVO4:Er single crystals were grown by the Czochralski technique. The crystal-field split energy levels of Er3+ ion were derived experimentally employing absorption and emission spectra measured at T=10 K. The Judd-Ofelt phenomenological method was used to estimate intensity parameters, radiative lifetimes and branching ratios of luminescence. The excited state dynamics of the LuVO4:Er systems was investigated and experimental lifetimes of emitting levels were measured. The emission cross section of the 4I13/2→4I15/2 transition in the infrared was calculated by the Füchtbauer-Ladenburg method. The gain cross section, estimated for several inverse-population parameters, allowed us to evaluate a potential laser activity of the LuVO4:Er system at 1.6 μm. Also, the potential range of the optical pumping was assessed based on absorption spectra achieved at the room temperature. The optical losses related to the green up-converted emission, encountered under the 978 nm excitation between 300 and 670 K were indicated and discussed. Spectroscopic peculiarities of the Er3+-doped LuVO4 crystal were discussed in relation to optical properties of the YVO4:Er and GdVO4:Er crystals. Taking into account the high quantum efficiency of the 4I13/2 level, and satisfactory absorption and emission features, the LuVO4:Er crystal can be considered as a promising active material for laser operation near 1.6 μm.

A single-phase white light emitting Pr3+ doped Ba2CaWO6 phosphor: synthesis, photoluminescence and optical properties

NASA Astrophysics Data System (ADS)

Sreeja, E.; Vidyadharan, Viji; Jose, Saritha K.; George, Anns; Joseph, Cyriac; Unnikrishnan, N. V.; Biju, P. R.

2018-04-01

Pr3+ doped Ba2CaWO6 phosphor were prepared by traditional high-temperature solid-state reaction technique. The structure evolution was systematically investigated by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. The X-ray powder diffraction patterns indicate that the prepared phosphors crystallized in the cubic double-perovskite structure. The functional groups were identified using FTIR spectra and the elements present in the composition were confirmed by the EDS profile. The morphology of the phosphor was identified using SEM and TEM analysis. The PL spectra illustrated that these phosphors could be efficiently excited by charge transfer band of host and the maximum luminescence intensity was observed at 0.06 wt% of Pr3+ ion. Upon the charge transfer band excitation, emission spectra showed peaks at 489, 532, 647, 685 and 737 nm corresponding to 3P0→3H4, 3P1→3H5, 3P0→3F2, 3P0→3F3 and 3P0→3F4 transitions respectively. The concentration quenching of Ba2CaWO6:Pr3+ phosphor can be mainly attributed to dipole-dipole interaction. The CIE coordinates were estimated to be close to the white region. The decay curves are well fitted with double exponential decay models. The standard and modified Judd-Ofelt (JO) theories were used to determine the Judd-Ofelt intensity parameters, radiative transition probabilities and branching ratios. The optical properties indicate that Ba2CaWO6:Pr3+ phosphors can produce white light emission from a single phase host and its potential application for solid-state lighting and display devices.

Optical properties of Nd3+ doped bismuth zinc borate glasses.

PubMed

Shanmugavelu, B; Venkatramu, V; Ravi Kanth Kumar, V V

2014-03-25

Glasses with compositions of (100-x) (Bi2ZnOB2O6) -x Nd2O3 (where x=0.1, 0.3, 0.5, 1 and 2 mol%) were prepared by melt quenching method and characterized through optical absorption, emission and decay curve measurements. Optical absorption spectra have been analyzed using Judd-Ofelt theory. The emission spectra exhibit three peaks at 919, 1063 and 1337 nm corresponding to (4)F3/2 to (4)I9/2, (4)I11/2 and (4)I13/2 transitions in the near infrared region. The emission intensity of the (4)F3/2 to (4)I11/2 transition increases with increase of Nd(3+) concentration up to 1 mol% and then concentration quenching is observed for 2 mol% of Nd(3+) concentration. The lifetimes for the (4)F3/2 level are found to decrease with increase in Nd2O3 concentration in the glasses. The decay curves of the glass up to 0.3 mol% of Nd(3+) exhibit single exponential nature and thereafter the curves become nonexponential nature (0.5, 1 and 2 mol%). The nonexponential curve has been fitted to the Inokuti-Hirayama model to understand the nature of energy transfer process. Copyright © 2013 Elsevier B.V. All rights reserved.

First-principles C band absorption spectra of SO2 and its isotopologues

NASA Astrophysics Data System (ADS)

Jiang, Bin; Kumar, Praveen; Kłos, Jacek; Alexander, Millard H.; Poirier, Bill; Guo, Hua

2017-04-01

The low-energy wing of the C ˜ B12 ←X˜ 1A1 absorption spectra for SO2 in the ultraviolet region is computed for the 32S,33S,34S and 36S isotopes, using the recently developed ab initio potential energy surfaces (PESs) of the two electronic states and the corresponding transition dipole surface. The state-resolved absorption spectra from various ro-vibrational states of SO2(X˜ 1A1 ) are computed. When contributions of these excited ro-vibrational states are included, the thermally averaged spectra are broadened but maintain their key characters. Excellent agreement with experimental absorption spectra is found, validating the accuracy of the PESs. The isotope shifts of the absorption peaks are found to increase linearly with energy, in good agreement with experiment.

Optical spectra and emission characteristics of terbium-doped potassium-lead double chloride crystals (KPb2Cl5:Tb3+)

NASA Astrophysics Data System (ADS)

Tkachuk, A. M.; Ivanova, S. E.; Mirzaeva, A. A.; Isaenko, L. I.

2017-05-01

Optical transitions in KPb2Cl5:Tb3+ crystals are studied experimentally and theoretically. The absorption cross-section spectra are plotted and the oscillator strengths of transitions from the ground terbium state to excited multiplets are determined. Intensity parameters Ωt for KPC:Tb3+ are determined by the Judd-Ofelt method to be Ω2 = 2.70 × 10-20 cm2, Ω4 = 7.0 × 10-20 cm2, and Ω6 = 0.72 × 10-20 cm2. These values were used to calculate such characteristics of spontaneous radiative transitions as oscillator strengths, probabilities of radiative transitions, and radiative lifetimes. The emission spectra of KPb2Cl5:Tb3+ crystals upon UV excitation and the decay kinetics of luminescence from the excited 5 D 3 and 5 D 4 levels are studied experimentally, the lifetimes of these levels are determined, and the dependences of the rates of nonradiative relaxation from the excited 7 F j ( j = 0-5), 5 D 4, and 5 D 3 levels to lower-lying terbium levels are calculated. It is shown that the population of the 5 D 4 level in KPC:Tb3+ crystals occurs according to a cascade scheme, which leads to quenching of the 5 D 3 level. The calculated data agree well with the known experimental rates of multiphonon nonradiative transitions for Dy:KPC, Nd:KPC, Er:KPC, Tb:KPB, and Nd:KPB crystals. It is shown that transitions in the near-IR (3-6 μm) region in double halide crystals (MPb2Hal5) are almost unquenched and the rates of nonradiative relaxation of excited levels spaced by energy gaps Δ E ji > 1000 cm-1 are W ji NR < 103s-1. This circumstance suggests that it is possible to obtain stimulated emission in KPb2Cl5:RE3+ crystals in the IR spectral region up to 6 μm.

Positive influence of Tm3+ on effective Er3+: 3 μm emission in fluoride glass under 980 nm excitation

NASA Astrophysics Data System (ADS)

Huang, Feifei; Wang, Tao; Guo, Yanyan; Lei, Ruoshan; Xu, Shiqing

2017-05-01

Er3+ and Tm3+ singly doped and codoped new fluoride glasses were prepared by traditional melt-quenching method. Efficient 3 μm emission was obtained under 980 nm laser excitation. It is worthy to notice that one of the two ions can be the sensitizer to the other one by depressing the Er3+: 1.5 μm emission through the energy transfer process from Er3+:4I13/2 level to Tm3+:3F4 level. On the basis of measured absorption spectra, the Judd-Ofelt intensity parameters and radiation emission probability were calculated to evaluate the spectroscopic properties. Additionally, the micro-parameters together with the phonon assistance of Er3+:4I13/2 → Tm3+:3F4 and Er3+:4I11/2 → Tm3+:3H5 processes were quantitatively analyzed by using Dexter model. The theoretical micro-parameters results meet well with the experiments which indicates that Er3+/Tm3+ codoped fluoride glass is a potential kind laser glass for 3 μm laser.

Two-photon absorption spectra of carotenoids compounds

NASA Astrophysics Data System (ADS)

Vivas, Marcelo Gonçalves; Silva, Daniel Luiz; Boni, Leonardo de; Zalesny, Robert; Bartkowiak, Wojciech; Mendonca, Cleber Renato

2011-05-01

Carotenoids are biosynthetic organic pigments that constitute an important class of one-dimensional π-conjugated organic molecules with enormous potential for application in biophotonic devices. In this context, we studied the degenerate two-photon absorption (2PA) cross-section spectra of two carotenoid compounds (β-carotene and β-apo-8'-carotenal) employing the conventional and white-light-continuum Z-scan techniques and quantum chemistry calculations. Because carotenoids coexist at room temperature as a mixture of isomers, the 2PA spectra reported here are due to samples containing a distribution of isomers, presenting distinct conjugation length and conformation. We show that these compounds present a defined structure on the 2PA spectra, that peaks at 650 nm with an absorption cross-section of approximately 5000 GM, for both compounds. In addition, we observed a 2PA band at 990 nm for β-apo-8'-carotenal, which was attributed to a overlapping of 11Bu+-like and 21Ag--like states, which are strongly one- and two-photon allowed, respectively. Spectroscopic parameters of the electronic transitions to singlet-excited states, which are directly related to photophysical properties of these compounds, were obtained by fitting the 2PA spectra using the sum-over-states approach. The analysis and interpretations of the 2PA spectra of the investigated carotenoids were supported by theoretical predictions of one- and two-photon transitions carried out using the response functions formalism within the density functional theory framework, using the long-range corrected CAM-B3LYP functional.

Substituent and solvent effects on electronic absorption spectra of some N-(substitutedphenyl)benzene sulphonamides

NASA Astrophysics Data System (ADS)

Suganya, Krishnasamy; Kabilan, Senthamaraikannan

2004-04-01

The effects of substituents and solvents have been studied through the absorption spectra of nearly 23 ortho- and para-N-(substitutedphenyl)benzene sulphonamides in the range of 200-400 nm. The effects of substituents on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

Optical Studies of Nd-doped benzil, a potential luminescent and laser material

NASA Astrophysics Data System (ADS)

Noginov, M. A.; Curley, M.; Noginova, N.; Wang, W. S.; Aggarwal, M. D.

1998-08-01

Neodymium-doped benzil crystals have been synthesized and characterized for their absorption, emission, and kinetics properties. From Judd Ofelt analysis, the radiative decay time of Nd emission (peaking at 1055 nm) is estimated to be equal to 441 s. The experimental Nd lifetime (under Ar laser excitation) is equal to 19 s. The broad emission band centered at approximately 700 nm ( decay 15 ns) and the Raman scattering with characteristic frequency shift of 1600 cm 1 have been observed at excitation of benzil with 532-nm Q -switched laser pulses. We show that rare-earth-doped benzil can be considered as a potential candidate for luminescent and solid-state laser material.

Absorption Spectra of Gold Nanoparticle Suspensions

NASA Astrophysics Data System (ADS)

Anan'eva, M. V.; Nurmukhametov, D. R.; Zverev, A. S.; Nelyubina, N. V.; Zvekov, A. A.; Russakov, D. M.; Kalenskii, A. V.; Eremenko, A. N.

2018-02-01

Three gold nanoparticle suspensions are obtained, and mean radii in distributions - (6.1 ± 0.2), (11.9 ± 0.3), and (17.3 ± 0.7) nm - are determined by the transmission electron microscopy method. The optical absorption spectra of suspensions are obtained and studied. Calculation of spectral dependences of the absorption index of suspensions at values of the gold complex refractive index taken from the literature showed a significant deviation of experimental and calculated data in the region of 450-800 nm. Spectral dependences of the absorption of suspensions are simulated within the framework of the Mie-Drude theory taking into account the interband absorption in the form of an additional term in the imaginary part of the dielectric permittivity of the Gaussian type. It is shown that to quantify the spectral dependences in the region of the plasmon absorption band of nanoparticles, correction of the parameters of the interband absorption is necessary in addition to the increase of the relaxation parameter of the Drude theory. Spectral dependences of the dielectric permittivity of gold in nanodimensional state are refined from the solution of the inverse problem. The results of the present work are important for predicting the special features of operation of photonic devices and optical detonators based on gold nanoparticles.

Substituent and solvent effects on electronic absorption spectra of some N-(substitutedphenyl)benzene sulphonamides.

PubMed

Suganya, Krishnasamy; Kabilan, Senthamaraikannan

2004-04-01

The effects of substituents and solvents have been studied through the absorption spectra of nearly 23 ortho- and para-N-(substitutedphenyl)benzene sulphonamides in the range of 200-400 nm. The effects of substituents on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed. Copyright 2003 Elsevier B.V.

Bruce D. Judd, FAIA, Photographer August 1997. VIEW OF LOS ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Bruce D. Judd, FAIA, Photographer August 1997. VIEW OF LOS ANGELES CITY HALL SIXTH FLOOR NORTH OFFICE AREA, FACING NORTH - Los Angeles City Hall, 200 North Spring Street, Los Angeles, Los Angeles County, CA

Bruce D. Judd, FAIA, Photographer August 1997. DETAIL OF LOS ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Bruce D. Judd, FAIA, Photographer August 1997. DETAIL OF LOS ANGELES CITY HALL SIXTH FLOOR NORTH OFFICE AREA WINDOW, FACING NORTHWEST - Los Angeles City Hall, 200 North Spring Street, Los Angeles, Los Angeles County, CA

2.7 μm emission properties of Er3+ doped tungsten-tellurite glass sensitized by Yb3+ ions.

PubMed

Guo, Yanyan; Ma, Yaoyao; Huang, Feifei; Peng, Yapei; Zhang, Liyan; Zhang, Junjie

2013-07-01

With a 980 nm laser diode (LD) pumped, the sensitized effect of Yb(3+) ions on 2.7 μm emission properties and energy transfer mechanism in Yb(3+)/Er(3+) co-doped tungsten-tellurite glass were investigated in present paper. Based on absorption spectra, Judd-Ofelt parameters and radiative transition probabilities were calculated and analyzed. The emission spectra were tested and the optimized concentration ratio of Yb(3+) to Er(3+) ions was found to be 3:0.5 with a largest calculated emission cross-section (6.05×10(-21) cm(2)) corresponding to Er(3+):(4)I11/2→(4)I13/2 transition. When the concentration ratio of Yb(3+) to Er(3+) ions was 4:0.5, 1.5 μm and 2.7 μm emission decreased while up-conversion increased. The decreased 1.5 μm and 2.7 μm emission were induced by the saturation of Er(3+):(4)I13/2 level. In brief, the advantageous spectroscopic characteristics indicated that Yb(3+)/Er(3+) co-doped tungsten-tellurite glass may be a promising candidate for application of 2.7 μm emission. Copyright © 2013 Elsevier B.V. All rights reserved.

Optical spectroscopy and luminescence properties of Ho3+ doped zinc fluorophosphate (ZFP) glasses for green luminescent device applications

NASA Astrophysics Data System (ADS)

Reddy Prasad, V.; Damodaraiah, S.; Ratnakaram, Y. C.

2018-04-01

Ho3+ doped zinc fluorophosphate (ZFP) glasses with molar chemical compositions, (60-x) NH4H2PO4+20ZnO+10BaF2+10NaF+xHo2O3 (where x = 0.1, 0.3, 0.5, 1.0 and 1.5 mol%) were prepared by melt quenching technique. These glasses were characterized through physical, structural, optical, excitation, luminescence and decay curve analysis. From the absorption spectra, spectral intensities (fexp and fcal), Judd-Ofelt intensity parameters (Ω2, Ω4 and Ω6), radiative transition probabilities (AT), radiative lifetimes (τR) and branching ratios (βR) were evaluated for all Ho3+ doped ZFP glass matrices. From the photoluminescence spectra, peak stimulated emission cross-sections (σP) were calculated for all Ho3+ doped ZFP glasses. The Ho3+ doped ZFP glasses show strong green emission at 545 nm and red emission at 656 nm under excitation, 450 nm. The measured lifetimes (τmeas) of (5S2)5F4 level of Ho3+ doped ZFP glasses were obtained from decay profiles. The CIE color coordinates of Ho3+ doped ZFP glasses were calculated from emission spectra and 1.0 mol% of Ho3+ doped ZFP glass matrix gives green emission. Hence, these results confirm that the Ho3+ doped ZFP glasses could be considered as a promising candidate for visible green laser applications.

Spectroscopic attributes of Sm3+ doped magnesium zinc sulfophosphate glass: Effects of silver nanoparticles inclusion

NASA Astrophysics Data System (ADS)

Ahmadi, F.; Hussin, R.; Ghoshal, S. K.

2017-11-01

We report the modified optical properties of Sm3+ doped magnesium zinc sulfophosphate glass system with silver nanoparticles (Ag NPs) inclusion. Three glass samples were prepared using melt quenching method and characterized. TEM images revealed the nucleation of Ag NPs with average diameter ≈12.50 nm. The UV-Vis-NIR spectra showed thirteen absorption bands. The surface plasmon resonance (SPR) band of Ag NPs was manifested at 446 nm. FTIR spectra disclosed the bonding vibrations for P-O bonds, P-O-P linkages, and PO2 units. Ag NPs concentration dependent bonding parameters and Judd-Ofelt (JO) intensity parameters were calculated. The JO parameter Ω2 was reduced with the increase of Ag NPs contents, indicating the ionicity and symmetry enhancement between Sm3+ ions with their surrounding ligands. The emission spectra of all samples under the excitation wavelength of 402 nm exhibited four significant peaks centered at 562, 599, 644 and 702 nm which are allocated to 4G5/2 →6H5/2, 6H7/2, 6H9/2 and 6H11/2 transitions, respectively. Inclusion of Ag NPs was discerned to augment the luminescence intensity by a factor of two, which was majorly ascribed to the local field effect of Ag NPs and subsequent energy transfer from the NPs to Sm3+ ions.

Ho3+-doped strontium-aluminium-bismuth-borate glasses for green light emission.

PubMed

Rajesh, D; Dhamodhara Naidu, M; Ratnakaram, Y C; Balakrishna, A

2014-11-01

Strontium-aluminium-bismuth-borate glasses (SAlBiB) doped with different concentrations of Ho(3+) were prepared using conventional melt quenching technique and their structural and optical properties investigated. X-ray diffraction and scanning electron microscopy analysis were used to study the structural properties. Optical properties were studied by measuring the optical absorption and visible luminescence spectra. The Judd-Ofelt (J-O) theory was applied to evaluate J-O intensity parameters, Ω(λ) (λ = 2, 4 and 6). Using J-O intensity parameters, radiative properties such as spontaneous transition probabilities (A(R)), branching ratios (β(R)) and radiative lifetimes (τ(R)) were determined. From the emission spectra, a strong green emission nearly at 549 nm corresponding to the transition, (5)S2 ((5)F4)→(5)I(8) was observed. Emission peak positions (λ(P)), effective bandwidths (Δλ(eff)) and stimulated emission cross-sections (σ(p)) were calculated for the observed emission transitions, (5)F3 →(5)I(8), (5)S2((5)F4)→(5)I(8) and (5)F5 →(5)I(8) of Ho(3+) in all the glass matrices. Chromaticity color coordinates were calculated using the emission spectra. The experimental results suggest that SAlBiB glass matrix with 1.5 mol% of Ho(3+) has better emission properties. Copyright © 2014 John Wiley & Sons, Ltd.

Optical studies of Sm³⁺ ions doped zinc alumino bismuth borate glasses.

PubMed

Swapna, K; Mahamuda, Sk; Srinivasa Rao, A; Shakya, S; Sasikala, T; Haranath, D; Vijaya Prakash, G

2014-05-05

Zinc Alumino Bismuth Borate (ZnAlBiB) glasses doped with different concentrations of samarium (Sm(3+)) ions were prepared by using melt quenching technique and characterized for their lasing potentialities in visible region by using the techniques such as optical absorption, emission and emission decay measurements. Radiative properties for various fluorescent levels of Sm(3+) ions were estimated from absorption spectral information using Judd-Ofelt (JO) analysis. The emission spectra and con-focal photoluminescence images obtained by 410 nm laser excitation demonstrates very distinct and intense orange-red emission for all the doped glasses. The suitable concentration of Sm(3+) ions in these glasses to act as an efficient lasing material has been discussed by measuring the emission cross-section and branching ratios for the emission transitions. The quantum efficiencies were also been estimated from emission decay measurements recorded for the (4)G5/2 level of Sm(3+) ions. From the measured emission cross-sections, branching ratios, strong photoluminescence features and CIE chromaticity coordinates, it was found that 1 mol% of Sm(3+) ions doped ZnAlBiB glasses are most suitable for the development of visible orange-red lasers. Copyright © 2014 Elsevier B.V. All rights reserved.

Fluorescence properties and energy transfer study of Er3+/Nd3+ doped fluorophosphate glass pumped at 800 and 980 nm for mid-infrared laser applications

NASA Astrophysics Data System (ADS)

Tian, Ying; Xu, Rongrong; Hu, Lili; Zhang, Junjie

2012-04-01

The fluorescence properties of 2.7 μm emission as well as near infrared emissions in Er3+/Nd3+ doped fluorophosphate glasses are investigated under 800 and 980 nm excitation. The fluorescence dynamics and energy transfer processes between Er and Nd ions in different pumping schemes are reported. Three Judd-Ofelt intensity parameters, energy transfer microparameters, and efficiency have been determined using the Judd-Ofelt and Förster-Dexter theories. The calculated energy transfer efficiency of the Er3+:4I13/2 level to the Nd3+:4I15/2 level is as high as 83.91%. The results indicate that Nd3+ may be an efficient sensitizer for Er3+ to obtain mid-infrared emission and the more suitable pumping scheme of 2.7 μm laser applications for Er3+/Nd3+ doped fluorophosphate glass is 980 nm excitation.

Bruce D. Judd, FAIA, Photographer August 1997. VIEW OF LOS ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Bruce D. Judd, FAIA, Photographer August 1997. VIEW OF LOS ANGELES CITY HALL ELEVENTH FLOOR KITCHEN OF EXECUTIVE DINING AREA SHOWING ARCHED STRUCTURE, FACING NORTHWEST - Los Angeles City Hall, 200 North Spring Street, Los Angeles, Los Angeles County, CA

Automated generation and ensemble-learned matching of X-ray absorption spectra

NASA Astrophysics Data System (ADS)

Zheng, Chen; Mathew, Kiran; Chen, Chi; Chen, Yiming; Tang, Hanmei; Dozier, Alan; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Piper, Louis F. J.; Persson, Kristin A.; Ong, Shyue Ping

2018-12-01

X-ray absorption spectroscopy (XAS) is a widely used materials characterization technique to determine oxidation states, coordination environment, and other local atomic structure information. Analysis of XAS relies on comparison of measured spectra to reliable reference spectra. However, existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry coverage. In this work, we report the development of XASdb, a large database of computed reference XAS, and an Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for the matching of spectra. XASdb currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra (XANES) for over 40,000 materials from the open-science Materials Project database. We discuss a high-throughput automation framework for FEFF calculations, built on robust, rigorously benchmarked parameters. FEFF is a computer program uses a real-space Green's function approach to calculate X-ray absorption spectra. We will demonstrate that the ELSIE algorithm, which combines 33 weak "learners" comprising a set of preprocessing steps and a similarity metric, can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal structures. The XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Project, providing an important new public resource for the analysis of XAS to all materials researchers. Finally, the ELSIE algorithm itself has been made available as part of veidt, an open source machine-learning library for materials science.

Antimony oxide based glasses, novel laser materials

NASA Astrophysics Data System (ADS)

Ouannes, Karima; Lebbou, Kheirreddine; Walsh, Brian M.; Poulain, Marcel; Alombert-Goget, Guillaume; Guyot, Yannick

2017-03-01

Glasses based on Sb2O3 make one of the major classes of heavy metal oxide glasses. This paper concerns two antimonite glasses, 88Sb2O3-10Na2O-2Bi2O3 (SNB2) and 60Sb2O3-20WO3-19Na2O-1Bi2O3 (SWNB1), doped with 0.25 mol% Er2O3. Bulk samples have been prepared and their absorption and fluorescence spectra have been recorded. Differential scanning calorimeter (DSC) measurements emphasize a thermal stability range ΔT > 100 °C that expresses a good stability against devitrification. Both FTIR and Raman spectra provide information on the structural organization of the glasses. The maximum phonon energies are 700 cm-1 and 920 cm-1 for SNB2 and SWNB1 glasses, respectively. The spectroscopic analysis of the absorption and emission properties of the Er3+ ions in the SNB2 and SWNB1 glasses has been performed. The Judd-Ofelt theory has been applied to interpret the local environment of the Er3+ ion site and covalency of the Ersbnd O bond, but also to determine the radiative lifetime (τr) for 4I13/2 → 4I15/2 emission transition. The emission cross-sections for the 4I13/2 → 4I15/2 transition (1528 nm) were calculated using McCumber and Füchtbauer-Ladenburg theories. We discuss the potential application of these glasses.

Spectroscopic investigations of Nd3+ doped Lithium Lead Alumino Borate glasses for 1.06 μm laser applications

NASA Astrophysics Data System (ADS)

Deopa, Nisha; Rao, A. S.; Gupta, Mohini; Vijaya Prakash, G.

2018-01-01

Neodymium doped lithium lead alumino borate glasses were synthesized with the molar composition 10Li2Osbnd 10PbOsbnd (10-x) Al2O3sbnd 70B2O3sbnd x Nd2O3 (where, x = 0.1, 0.5, 1.0, 1.5, 2.0 and 2.5 mol %) via conventional melt quenching technique to understand their lasing potentialities using the absorption, emission and photoluminescence decay spectral measurements. The oscillator strengths measured from the absorption spectra were used to estimate the Judd-Ofelt intensity parameters using least square fitting procedure. The emission spectra recorded for the as-prepared glasses under investigation exhibit two emission transitions 4F3/2 → 4I11/2 (1063 nm) and 4F3/2 → 4I9/2 (1350 nm) for which radiative parameters have been evaluated. The emission intensity increases with increase in Nd3+ ion concentration up to 1 mol % and beyond concentration quenching took place. The decay profile shows single exponential nature for lower Nd3+ ion concentration and non-exponential for higher concentration. To elucidate the nature of energy transfer process, the non-exponential decay curves were well fitted to Inokuti-Hirayama model. The relatively higher values of emission cross-sections, branching ratios and quantum efficiency values obtained for 1.0 mol% of Nd3+ ions in LiPbAlB glass suggests it's aptness in generating lasing action at 1063 nm in NIR region.

Spectroscopy and visible frequency upconversion in Er3+-Yb3+: TeO2-ZnO glass.

PubMed

Mohanty, Deepak Kumar; Rai, Vineet Kumar

2014-01-01

The UV-Vis-NIR absorption studies of the Er(3+)/Er(3+)-Yb(3+) doped/codoped TeO2-ZnO (TZO) glasses fabricated by the melting and quenching method has been performed. The spectroscopic radiative parameters viz. radiative transition probabilities, branching ratios and lifetimes have been determined from the absorption spectrum by using Judd-Ofelt theory. The near infrared (NIR) to visible frequency upconversion (UC) have been monitored by using an excitation of 976 nm wavelength radiation from a CW diode laser. The effect of codoping with Yb(3+) ions on the intensity of the UC emission bands from the Er(3+) ions throughout visible region has been studied. The mechanism responsible for the observed upconversion emissions in the prepared samples have been explained on the basis of excited state absorption and efficient energy transfer processes. Copyright © 2013 Elsevier B.V. All rights reserved.

A Novel Acoustic Sensor Approach to Classify Seeds Based on Sound Absorption Spectra

PubMed Central

Gasso-Tortajada, Vicent; Ward, Alastair J.; Mansur, Hasib; Brøchner, Torben; Sørensen, Claus G.; Green, Ole

2010-01-01

A non-destructive and novel in situ acoustic sensor approach based on the sound absorption spectra was developed for identifying and classifying different seed types. The absorption coefficient spectra were determined by using the impedance tube measurement method. Subsequently, a multivariate statistical analysis, i.e., principal component analysis (PCA), was performed as a way to generate a classification of the seeds based on the soft independent modelling of class analogy (SIMCA) method. The results show that the sound absorption coefficient spectra of different seed types present characteristic patterns which are highly dependent on seed size and shape. In general, seed particle size and sphericity were inversely related with the absorption coefficient. PCA presented reliable grouping capabilities within the diverse seed types, since the 95% of the total spectral variance was described by the first two principal components. Furthermore, the SIMCA classification model based on the absorption spectra achieved optimal results as 100% of the evaluation samples were correctly classified. This study contains the initial structuring of an innovative method that will present new possibilities in agriculture and industry for classifying and determining physical properties of seeds and other materials. PMID:22163455

Luminescence properties of Eu3+-doped SiO2-LiYF4 glass-ceramic microrods

NASA Astrophysics Data System (ADS)

Secu, C. E.; Secu, M.

2015-09-01

Photoluminescence properties of the glass-ceramics microrods containing Eu3+-doped LiYF4 nanocrystals have been studied and characterized. Judd-Ofelt parameters and quantum efficiency has been computed from luminescence spectra and discussed by comparison to the glass ceramic bulk and pellet. The radiative decay rate Arad is higher in the glass ceramic rods (221 s-1) than in the glass ceramic bulk (130 s-1) but the quantum efficiency computed is very low (21%) compared to the glass-ceramic bulk (97%). There are effective non-radiative decay channels that might be related to an influence of the dimensional constraints imposed by the membrane pores during xerogel formation and subsequent glass ceramization.

Unified analysis of optical absorption spectra of carotenoids based on a stochastic model.

PubMed

Uragami, Chiasa; Saito, Keisuke; Yoshizawa, Masayuki; Molnár, Péter; Hashimoto, Hideki

2018-05-03

The chemical structures of the carotenoid molecules are very simple and one might think that the electronic feature of it is easily predicted. However, it still has so much unknown information except the correlation between the electronic energy state and the length of effective conjugation chain of carotenoids. To investigate the electronic feature of the carotenoids, the most essential method is measuring the optical absorption spectra, but simulating it from the resonance Raman spectra is also the effective way. From this reason, we studied the optical absorption spectra as well as resonance Raman spectra of 15 different kinds of cyclic carotenoid molecules, recorded in tetrahydrofuran (THF) solutions at room temperature. The whole band shapes of the absorption spectra of all these carotenoid molecules were successfully simulated based on a stochastic model using Brownian oscillators. The parameters obtained from the simulation made it possible to discuss the intermolecular interaction between carotenoids and solvent THF molecules quantitatively. Copyright © 2018. Published by Elsevier Inc.

Optical Studies of Nd-doped benzil, a potential luminescent and laser material.

PubMed

Noginov, M A; Curley, M; Noginova, N; Wang, W S; Aggarwal, M D

1998-08-20

Neodymium-doped benzil crystals have been synthesized and characterized for their absorption, emission, and kinetics properties. From Judd-Ofelt analysis, the radiative decay time of Nd emission (peaking at 1055 nm) is estimated to be equal to 441 mus. The experimental Nd lifetime (under Ar+ laser excitation) is equal to 19 mus. The broad emission band centered at approximately 700 nm (tau(decay) approximately 15 ns) and the Raman scattering with characteristic frequency shift of 1600 cm(-1) have been observed at excitation of benzil with 532-nm Q-switched laser pulses. We show that rare-earth-doped benzil can be considered as a potential candidate for luminescent and solid-state laser material.

Phyllosilicate absorption features in main-belt and outer-belt asteroid reflectance spectra.

PubMed

Vilas, F; Gaffey, M J

1989-11-10

Absorption features having depths up to 5% are identified in high-quality, high-resolution reflectance spectra of 16 dark asteroids in the main belt and in the Cybele and Hilda groups. Analogs among the CM2 carbonaceous chondrite meteorites exist for some of these asteroids, suggesting that these absorptions are due to iron oxides in phyllosilicates formed on the asteroidal surfaces by aqueous alteration processes. Spectra of ten additional asteroids, located beyond the outer edge of the main belt, show no discernible absorption features, suggesting that aqueous alteration did not always operate at these heliocentric distances.

Phyllosilicate absorption features in main-belt and outer-belt asteroid reflectance spectra

NASA Technical Reports Server (NTRS)

Vilas, Faith; Gaffey, Michael J.

1989-01-01

Absorption features having depths up to 5 percent are identified in high-quality, high-resolution reflectance spectra of 16 dark asteroids in the main belt and in the Cybele and Hilda groups. Analogs among the CM2 carbonaceous chondrite meteorites exist for some of these asteroids, suggesting that these absorptions are due to iron oxides in phyllosilicates formed on the asteroidal surfaces by aqueous alteration processes. Spectra of ten additional asteroids, located beyond the outer edge of the main belt, show no discernible absorption features, suggesting that aqueous alteration did not always operate at these heliocentric distances.

Determination of the major groups of phytoplankton pigments from the absorption spectra of total particulate matter

NASA Technical Reports Server (NTRS)

Hoepffner, Nicolas; Sathyendranath, Shubha

1993-01-01

The contributions of detrital particles and phytoplankton to total light absorption are retrieved by nonlinear regression on the absorption spectra of total particles from various oceanic regions. The model used explains more than 96% of the variance in the observed particle absorption spectra. The resulting absorption spectra of phytoplankton are then decomposed into several Gaussian bands reflecting absorption by phytoplankton pigments. Such a decomposition, combined with high-performance liquid chromatography data on phytoplankton pigment concentrations, allows the computation of specific absorption coefficients for chlorophylls a, b, and c and carotenoids. The spectral values of these in vivo absorption coefficients are then discussed, considering the effects of secondary pigments which were not measured quantitatively. We show that these coefficients can be used to reconstruct the absorption spectra of phytoplankton at various locations and depths. Discrepancies that do occur at some stations are explained in terms of particle size effect. These coefficients can be used to determine the concentrations of phytoplankton pigments in the water, given the absorption spectrum of total particles.

Reassignment of the Iron (3) Absorption Bands in the Spectra of Mars

NASA Technical Reports Server (NTRS)

Sherman, D. M.

1985-01-01

Absorption features in the near-infrared and visible region reflectance spectra of Mars have been assigned to specific Fe (3+) crystal-field and o(2-) yields Fe(3+) charge transfer transitions. Recently, near-ultraviolet absorption spectra of iron oxides were obtained and the energies of o(2-) yields Fe(3+) charge-transfer (LMCT) transitions were determined from accurate SCF-X # alpha-SW molecular orbital calculations on (FeO6)(9-) and (FeO4)(5-) clusters. Both the theoretical and experimental results, together with existing data in the literature, show that some of the previous Fe(3+) band assignments in the spectra of Mars need to be revised. The theory of Fe(3+) spectra in minerals is discussed and applied to the spectrum of Mars.

Infrared absorption spectra of metal carbides, nitrides and sulfides

NASA Technical Reports Server (NTRS)

Kammori, O.; Sato, K.; Kurosawa, F.

1981-01-01

The infrared absorption spectra of 12 kinds of metal carbides, 11 kinds of nitrides, and 7 kinds of sulfides, a total of 30 materials, were measured and the application of the infrared spectra of these materials to analytical chemistry was discussed. The measurements were done in the frequency (wave length) range of (1400 to 400/cm (7 to 25 mu). The carbides Al4C3, B4C, the nitrides AlN, BN, Si3N4, WB, and the sulfides Al2S3, FeS2, MnS, NiS and PbS were noted to have specific absorptions in the measured region. The sensitivity of Boron nitride was especially good and could be detected at 2 to 3 micrograms in 300 mg of potassium bromide.

An investigation of a mathematical model for atmospheric absorption spectra

NASA Technical Reports Server (NTRS)

Niple, E. R.

1979-01-01

A computer program that calculates absorption spectra for slant paths through the atmosphere is described. The program uses an efficient convolution technique (Romberg integration) to simulate instrument resolution effects. A brief information analysis is performed on a set of calculated spectra to illustrate how such techniques may be used to explore the quality of the information in a spectrum.

Optical spectroscopy, 1.06 μm emission properties of Nd3 +-doped phosphate based glasses

NASA Astrophysics Data System (ADS)

Sk. Nayab, Rasool; Sasikala, T.; Mohan Babu, A.; Rama Moorthy, L.; C. K., Jayasankar

2017-06-01

Neodymium doped phosphate based glasses with composition of (P2O5 + K2O + Al2O3 + CaF2) were prepared. The samples were analysed through differential thermal analysis (DTA), Fourier transform infrared (FTIR), absorption, emission and decay measurements. Judd-Ofelt parameters (Ωλ) have been determined from the spectral intensities of absorption bands in order to calculate the radiative parameters like radiative transition probabilities (AR), radiative lifetime (τR) and branching ratios (βR) for the 4F3/2 → 4I11/2 laser transition of Nd3 + ion. The effective emission bandwidths (Δλeff), experimental branching ratios (βexp) and stimulated emission cross-sections (σe) have been determined from the emission spectrum. The decay curves of the 4F3/2 level exhibited almost single exponential nature for all the Nd3 + ion concentrations.

In situ phytoplankton absorption, fluorescence emission, and particulate backscattering spectra determined from reflectance

NASA Technical Reports Server (NTRS)

Roesler, Collin S.; Pery, Mary Jane

1995-01-01

An inverse model was developed to extract the absortion and scattering (elastic and inelastic) properties of oceanic constituents from surface spectral reflectance measurements. In particular, phytoplankton spectral absorption coefficients, solar-stimulated chlorophyll a fluorescence spectra, and particle backscattering spectra were modeled. The model was tested on 35 reflectance spectra obtained from irradiance measurements in optically diverse ocean waters (0.07 to 25.35 mg/cu m range in surface chlorophyll a concentrations). The universality of the model was demonstrated by the accurate estimation of the spectral phytoplankton absorption coefficents over a range of 3 orders of magnitude (rho = 0.94 at 500 nm). Under most oceanic conditions (chlorophyll a less than 3 mg/cu m) the percent difference between measured and modeled phytoplankton absorption coefficents was less than 35%. Spectral variations in measured phytoplankton absorption spectra were well predicted by the inverse model. Modeled volume fluorescence was weakly correlated with measured chl a; fluorescence quantum yield varied from 0.008 to 0.09 as a function of environment and incident irradiance. Modeled particle backscattering coefficients were linearly related to total particle cross section over a twentyfold range in backscattering coefficents (rho = 0.996, n = 12).

Luminescence studies on Er3+ -doped zincfluorophosphate glasses for 1.53 μm laser applications

NASA Astrophysics Data System (ADS)

Sreedhar, V. B.; Vijaya, N.; Ramachari, D.; Jayasankar, C. K.

2017-02-01

The Er3+-doped zincfluorophosphate glasses have been prepared by conventional melt-quenching technique and characterized through X-ray diffraction, differential thermal analysis, Raman, visible and near-infrared (NIR) emission spectra and decay time measurements. Judd-Ofelt intensity parameters (Ωλ, λ = 2, 4 and 6) have been derived from the absorption spectrum and inturn used to calculate the radiative properties for the fluorescent levels of Er3+ ions. The studied glasses exhibit intense green and weak red emissions under 378 nm excitation and an intense NIR emission at 1.53 μm under 980 nm laser diode excitation. The wavelength dependence of gain cross-section for different values of population inversion (γ) has been derived from the McCumber theory. Lifetime for the 4I13/2 level of Er3+ ion is found to decrease from 7.17 to 1.42 ms whereas the gain bandwidth increases from 143.5 to 263.9 × 10-28 cm3 with increase of Er3+ concentration from 0.001 to 2.0 mol %. The results indicate that the glasses may be suitable for the development of optical amplifier in the 1.53 μm optical region.

Effect of PbO on the spectral and thermo-optical properties of Nd3+-doped phosphate laser glass

NASA Astrophysics Data System (ADS)

Yin, Qianwen; Kang, Shuai; Wang, Xue; Li, Shunguang; He, Dongbing; Hu, Lili

2017-04-01

Nd3+-doped P2O5-K2O-Al2O3-BaO-PbO phosphate glasses with various PbO/BaO ratios were synthesized using the melt quenching technique. Raman, absorption, and emission spectra were measured to investigate the effects of PbO/BaO ratios on the structures and spectroscopic properties of the glasses. The emission cross-sections of the Nd3+-doped phosphate glasses were calculated using the Judd-Ofelt theory, and were found to increase from 4.37 × 10-20 to 4.50 × 10-20 cm2 as the PbO/BaO ratio increased. In addition, thermo-optical properties were measured using an interferometric technique. The thermo-optical coefficients, which were -1.49 × 10-6, -1.65 × 10-6, and -1.64 × 10-6 K-1, respectively, were all largely negative values. The thermal expansion coefficients of the three glass samples varied within a small range. The results showed that increasing the PbO/BaO ratio of phosphate glasses can improve the laser properties while maintaining their good thermo-optical properties.

Energy transfer characteristics of silicate glass doped with Er3+, Tm3+, and Ho3+ for ˜2 μm emission

NASA Astrophysics Data System (ADS)

Li, Ming; Liu, Xueqiang; Guo, Yanyan; Hu, Lili; Zhang, Junjie

2013-12-01

A Er3+/Tm3+/Ho3+ tri-doped silicate glass with good thermal stability is prepared by melt-quenching method. Efficient ˜2 μm emission is observed under 808 nm laser excitation. It is found that the 2.0 μm emission of Ho3+ can be enhanced under the excitation at 808 nm by incorporating Er3+ and Tm3+. Based on the measurement of absorption spectra, the Judd-Ofelt intensity parameters, radiation emission probability, and branching ratio are calculated to evaluate the spectroscopic properties simultaneously. The maximum value of emission cross section of Ho3+ is 3.54 × 10-21 cm2 at 2008 nm. Additionally, the phonon assistance and the micro-parameters in the energy transfer process are quantitatively analyzed by using Dexter model. The energy transfer coefficient from Tm3+ to Ho3+ can reach as high as 21.44 × 10-40 cm6/s, respectively. The emission property together with good thermal property indicates that Er3+/Tm3+/Ho3+ tri-doped silicate glass is a potential kind of laser glass for efficient 2 μm laser.

Thermal properties and optical transition probabilities of Tm3 + doped TeO2-WO3 glass.

PubMed

Cenk, S; Demirata, B; Oveçoglu, M L; Ozen, G

2001-10-01

Glasses with the composition of (1 - x)TeO2 + (x)WO3, where x = 0.15, 0.25 and 0.3 were prepared and, their thermal and absorption measurements were carried out. Differential thermal analysis (DTA) curves taken in the 23-600 degrees C temperature range with a heating rate of 10 degrees C/min reveal a change in the value of the glass transition temperature, Tg, while crystallization was not observed for the glasses containing a WO3 content of more than 15 mol%. All the glasses were found to be moisture-resistant. The absorption bands corresponding to the absorption of the 1G4, 3F2, 3F3 and 3F4, 3H5 and 3H4 levels from the 3H6 ground level of the Tm3+ ion were observed in the optical absorption spectra. Integrated absorption cross-sections of each band except that of 3H5 level was found to vary with the glass composition. Judd-Ofelt analysis was carried out for the samples doped with 1.0 mol% Tm2O3. The omega2 parameter shows the strongest dependence on the host composition and it increases with the increasing WO3 amount. The value of omega4 increases rather slowly while the value of omega6 is practically independent of the composition. The strong dependence of the parameter omega2 indicates that this parameter is related to the structural change and the symmetry of the local environment of the Tm3+ ions in this glass.

Absorption spectra of PTCDI: A combined UV-Vis and TD-DFT study

NASA Astrophysics Data System (ADS)

Oltean, Mircea; Calborean, Adrian; Mile, George; Vidrighin, Mihai; Iosin, Monica; Leopold, Loredana; Maniu, Dana; Leopold, Nicolae; Chiş, Vasile

2012-11-01

Absorption spectra of PTCDI (3,4,9,10-perylene-tetracarboxylic-diimide) have been investigated in chloroform, N,N'-dimethylformamide (DMF) and dimethylsulfoxide (DMSO). While no signature of assembled PTCDI molecules is observed in chloroform solution, distinct bands assigned to their aggregation have been identified in DMF and DMSO solutions. PTCDI monomers show very similar absorption patterns in chloroform and DMSO solutions. Experimental data, including the vibronic structure of the absorption spectra were explained based on the Franck-Condon approximation and quantum chemical results obtained at PBE0-DCP/6-31+G(d,p) level of theory. Geometry optimization of the first excited state leads to a nice agreement between the calculated adiabatic transition energies and experimental data.

Spectroscopic properties of Sm3 + ions doped Alkaliborate glasses for photonics applications

NASA Astrophysics Data System (ADS)

Nagaraj, R.; Suthanthirakumar, P.; Vijayakumar, R.; Marimuthu, K.

2017-10-01

A new series of Sm3 + doped alkaliborate glasses have been prepared by melt quenching technique and their structural and spectroscopic properties were analysed employing XRD, FTIR, optical absorption, photoluminescence and decay spectral measurements in order to explore their suitability for photonic applications. The amorphous nature have been confirmed through XRD analysis and the FTIR spectra reveal the presence of fundamental stretching and bending vibrations of the borate networks in the prepared glasses. From the absorption peak positions, bonding parameter (δ) values were calculated to examine the nature of the metal-ligand bond. The optical band gap (Eopt) corresponds to the direct and indirect allowed transitions and the Urbach energies (ΔE) were calculated from the absorption spectra to understand the electronic band structure of the studied glasses. The Judd-Ofelt (JO) intensity parameters Ωλ (λ = 2, 4 and 6) were determined to explore the symmetry of the ligand environment around the Sm3 + ions in the studied glasses. The luminescence spectra exhibit four emission bands in the visible region due to the 4G5/2 → 6H5/2, 6H7/2, 6H9/2 and 6H11/2 transitions. The radiative parameters such as transition probability (A), stimulated emission cross-section (σPE), branching ratios (βR) and radiative lifetime (τR) have been determined from the luminescence spectra using JO theory to ensure the suitability of the studied glasses for optoelectronic applications. The luminescence spectra were characterized through CIE 1931 chromaticity diagram to examine the dominant emission color of the studied glasses. The lifetime values of the Sm3 + doped studied glasses pertaining to the 4G5/2 excited level have been determined through decay curve measurements and the non-exponential decay curves were fitted to the Inokuti-Hirayama model to analyze the energy transfer mechanism between the nearby Sm3 + ions. The obtained results were discussed and compared with the

Compositional dependence of red luminescence from Eu3+ ions doped single and mixed alkali fluoro tungsten tellurite glasses

NASA Astrophysics Data System (ADS)

Annapurna Devi, C. h. B.; Mahamuda, Sk.; Swapna, K.; Venkateswarlu, M.; Srinivasa Rao, A.; Vijaya Prakash, G.

2017-11-01

Trivalent europium ions doped single and mixed alkali fluoro tungsten tellurite glasses have been prepared via melt quenching method and characterized by using Raman, optical absorption, excitation, emission and time resolved spectral measurements to understand their utility in visible red emission. Raman spectrum is used to identify different functional groups present in the as prepared glasses. The optical absorption spectra recorded for all the glasses show six bands corresponding to the transitions 7F0→6D2, 7F0→6D1, 7F1→6D1, 7F0→6D0, 7F0→7F6, and 7F1→7F6. An excitation spectrum is used to measure the electron-phonon coupling strength 'g' and phonon energy of the glass host 'hω'. The photoluminescence (PL) spectra measured under 464 nm excitation show eight luminescence peaks related to the transitions 5D1→7F0 (509 nm), 5D1→7F1 (537 nm), 5D1→7F2 (556 nm), 5D0→7F0 (580 nm), 5D0→7F1 (592 nm), 5D0→7F2 (614 nm), 5D0→7F3 (652 nm) and 5D0→7F4 (701 nm) in all the glasses under investigation. Utilizing the Judd-Ofelt (J-O) parameters evaluated from the PL spectra, various radiative properties have been evaluated. From the decay spectra, experimental lifetimes were measured which are in turn used to evaluate the quantum efficiencies and non-radiatve decay rates in the as prepared glasses. The branching ratios, stimulated emission cross-section, quantum efficiency, colour co-ordinates and confocal images captured to confirm the suitability of these glasses for visible red luminescent devices.

Spectroscopic study of trivalent praseodymium in barium yttrium fluoride

NASA Astrophysics Data System (ADS)

Bowlby, Brian Edward

1998-09-01

This work investigates the spectroscopic properties of trivalent praseodymium (Pr3+) in barium yttrium fluoride (BaY2F8). Two doping concentrations were studied: BaY2F8:Pr3+ (.3%) and BaY2F8:Pr3+ (1%). Absorption spectra were taken at 77K and 300K and these were then used to calculate the Judd-Ofelt coefficients for both samples. These coefficients were then used to calculate the theoretical lifetimes and radiative branching ratios for all manifolds. Continuous luminescence spectra and lifetime measurements were also performed, and from these, experimentally determined values for the branching ratio and lifetimes were determined. These were then compared to their theoretical counterparts. It was found that while the theory gave values that were qualitatively correct, the quantitative correlation between theory and experiment shows the complexity of the physical reality and the difficulty of synthesizing an encompassing theoretical model. Absorption spectra and continuous luminescence spectra were also used to determine the energy levels of all manifolds in both samples. A total of 59 energy levels in 11 manifolds were identified in the BaY2F8:Pr3+ (1%) sample, while 51 levels in 11 manifolds were identified in the BaY2F8:Pr3+ (.3%) sample. Finally, the effects of temperature on the line width and line position for several radiative transitions was studied. It was found that while most transitions exhibited the expected broadening and shifting towards longer wavelengths at higher temperatures (a 'red shift'), the transition from the 3P0 level to the 3H4 ground state showed a shift towards shorter wavelengths at higher temperature (a 'blue shift'). Again this highlights the complexity of the ion- host interaction.

SimBAL: A Spectral Synthesis Approach to Analyzing Broad Absorption Line Quasar Spectra

NASA Astrophysics Data System (ADS)

Terndrup, Donald M.; Leighly, Karen; Gallagher, Sarah; Richards, Gordon T.

2017-01-01

Broad Absorption Line quasars (BALQSOs) show blueshifted absorption lines in their rest-UV spectra, indicating powerful winds emerging from the central engine. These winds are essential part of quasars: they can carry away angular momentum and thus facilitate accretion through a disk, they can distribute chemically-enriched gas through the intergalactic medium, and they may inject kinetic energy to the host galaxy, influencing its evolution. The traditional method of analyzing BALQSO spectra involves measuring myriad absorption lines, computing the inferred ionic column densities in each feature, and comparing with the output of photonionization models. This method is inefficient and does not handle line blending well. We introduce SimBAL, a spectral synthesis fitting method for BALQSOs, which compares synthetic spectra created from photoionization model results with continuum-normalized observed spectra using Bayesian model calibration. We find that we can obtain an excellent fit to the UV to near-IR spectrum of the low-redshift BALQSO SDSS J0850+4451, including lines from diverse ionization states such as PV, CIII*, SIII, Lyalpha, NV, SiIV, CIV, MgII, and HeI*.

Temperature-dependent mid-IR absorption spectra of gaseous hydrocarbons

NASA Astrophysics Data System (ADS)

Klingbeil, Adam E.; Jeffries, Jay B.; Hanson, Ronald K.

2007-10-01

Quantitative mid-IR absorption spectra (2500 3400 cm-1) for 12 pure hydrocarbon compounds are measured at temperatures ranging from 25 to 500 °C using an FTIR spectrometer. The hydrocarbons studied are n-pentane, n-heptane, n-dodecane, 2,2,4-trimethyl-pentane (iso-octane), 2-methyl-butane, 2-methyl-pentane, 2,4,4-trimethyl-1-pentene, 2-methyl-2-butene, propene, toluene, m-xylene, and ethylbenzene. Room-temperature measurements of neat hydrocarbon vapor were made with an instrument resolution of both 0.1 and 1 cm-1 (FWHM) to confirm that the high-resolution setting was required only to resolve the propene absorption spectrum while the spectra of the other hydrocarbons could be resolved with 1 cm-1 resolution. High-resolution (0.1 cm-1), room-temperature measurements of neat hydrocarbons were made at low pressure (˜1 Torr, 133 Pa) and compared to measurements of hydrocarbon/N2 mixtures at atmospheric pressure to verify that no pressure broadening could be observed over this pressure range. The temperature was varied between 25 and 500 °C for atmospheric-pressure measurements of hydrocarbon/N2 mixtures (Xhydrocarbon˜0.06 1.5%) and it was found that the absorption cross section shows simple temperature-dependent behavior for a fixed wavelength over this temperature range. Comparisons with previous FTIR data over a limited temperature range and with high-resolution laser absorption data over a wide temperature range show good agreement.

Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers

NASA Astrophysics Data System (ADS)

Wu, Wenpeng; Cao, Zexing; Zhao, Yi

2012-03-01

The vibrationally resolved spectral method and quantum chemical calculations are employed to reveal the structural and spectral properties of Coumarin 343 (C343), an ideal candidate for organic dye photosensitizers, in vacuum and solution. The results manifest that the ground-state energies are dominantly determined by different placements of hydrogen atom in carboxylic group of C343 conformations. Compared to those in vacuum, the electronic absorption spectra in methanol solvent show a hyperchromic property together with the redshift and blueshift for the neutral C343 isomers and their deprotonated anions, respectively. From the absorption, emission, and resonance Raman spectra, it is found that the maximal absorption and emission come from low-frequency modes whereas the high-frequency modes have high Raman activities. The detailed spectra are further analyzed for the identification of the conformers and understanding the potential charge transfer mechanism in their photovoltaic applications.

Study of the absorption spectra of Fricke Xylenol Orange gel dosimeters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gambarini, Grazia; Artuso, Emanuele; Liosi, Giulia Maria

2015-07-01

A systematic study of the absorption spectra of Fricke Xylenol Orange gel dosimeters has been performed, in the wavelength range from 300 nm to 700 nm. The spectrum of Xylenol Orange (without ferrous sulphate solution) has been achieved, in order to subtract its contribution from the absorption spectra of the irradiated Fricke Xylenol Orange gel dosimeters. The absorbance due to ferric ions chelated by Xylenol Orange has been studied for various irradiation doses. Two absorbance peaks are visible, mainly at low doses: the first peak increases with the dose more slowly than the second one. This effect can explain themore » apparent threshold dose that was frequently evidenced. (authors)« less

First Principles Optical Absorption Spectra of Organic Molecules Adsorbed on Titania Nanoparticles

NASA Astrophysics Data System (ADS)

Baishya, Kopinjol; Ogut, Serdar; Mete, Ersen; Gulseren, Oguz; Ellialtioglu, Sinasi

2012-02-01

We present results from first principles computations on passivated rutile TiO2 nanoparticles in both free-standing and dye-sensitized configurations to investigate the size dependence of their optical absorption spectra. The computations are performed using time-dependent density functional theory (TDDFT) as well as GW-Bethe-Salpeter-Equation (GWBSE) methods and compared with each other. We interpret the first principles spectra for free-standing TiO2 nanoparticles within the framework of the classical Mie-Gans theory using the bulk dielectric function of TiO2. We investigate the effects of the titania support on the absorption spectra of a particular set of perylene-diimide (PDI) derived dye molecules, namely brominated PDI (Br2C24H8N2O4) and its glycine and aspartine derivatives.

Synthesis and near-infrared fluorescence of K5NdLi2F10 nanocrystals and their dispersion with high doping concentration and long lifetime

NASA Astrophysics Data System (ADS)

Duan, Weikuan; Zhang, Yanyan; Wang, Zhongyue; Jiang, Jingyi; Liang, Chen; Wei, Wei

2014-05-01

K5NdLi2F10 nanocrystals were synthesized by a novel synthetic route in the liquid phase, which could improve the morphology and reduce the size effectively, for the first time. The luminescence intensities of the K5NdLi2F10 nanocrystals and their dispersion in polyethylene glycol 400 (PEG-400) approximate to that of neodymium doped phosphate glass (3 mol%), while the lifetimes of the nanocrystals alone and when dispersed with Nd3+ ions (1 × 1020 cm-3) are 303.4 μs and 174.6 μs respectively. Based on the Judd-Ofelt analysis, the emission quantum yield of the dispersion reaches 39.57%. In all, the K5NdLi2F10 nanocrystals and their dispersion have promising applications as liquid laser materials and biological fluorescent markers.K5NdLi2F10 nanocrystals were synthesized by a novel synthetic route in the liquid phase, which could improve the morphology and reduce the size effectively, for the first time. The luminescence intensities of the K5NdLi2F10 nanocrystals and their dispersion in polyethylene glycol 400 (PEG-400) approximate to that of neodymium doped phosphate glass (3 mol%), while the lifetimes of the nanocrystals alone and when dispersed with Nd3+ ions (1 × 1020 cm-3) are 303.4 μs and 174.6 μs respectively. Based on the Judd-Ofelt analysis, the emission quantum yield of the dispersion reaches 39.57%. In all, the K5NdLi2F10 nanocrystals and their dispersion have promising applications as liquid laser materials and biological fluorescent markers. Electronic supplementary information (ESI) available: Fitting curve of refractive index and detailed contents of Judd-Ofelt analysis. See DOI: 10.1039/c3nr06825k

Excitation of photosystem I by 760 nm femtosecond laser pulses: transient absorption spectra and intermediates

NASA Astrophysics Data System (ADS)

Cherepanov, Dmitry A.; Shelaev, Ivan V.; Gostev, Fedor E.; Mamedov, Mahir D.; Petrova, Anastasia A.; Aybush, Arseniy V.; Shuvalov, Vladimir A.; Semenov, Alexey Yu; Nadtochenko, Victor A.

2017-09-01

Excitation of photosystem I (PS I) by a femtosecond 760 nm pump leads to one- and two-photon absorption. The one-photon excitation produces intermediates with transient absorption spectra similar to the spectra of the primary [{{{P}}700}+{{{A}}0}-{{A}}1] and secondary [{{{P}}700}+{{A}}0{{{A}}1}-] ion-radical pairs in the PS I reaction center. The two-photon absorption generates the upper level excited states of chlorophyll (Chl) and carotenoid molecules in the antenna. These excited states are converted into the long-lived intermediates and can be tentatively attributed to the excited and charge-transfer ion-radical states of Chl molecules and to the excited states of carotenoids in the antenna. The transient spectra of intermediates generated by two-photon excitation differ from the transient one-photon spectra of the primary and secondary ion-radical pairs.

Absorption Spectra of Fe, Mn, and Mg Water Complexes Calculated Using Density Functional Theory

DTIC Science & Technology

2013-08-20

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--13-9479 Absorption Spectra of Fe, Mn, and Mg Water Complexes Calculated Using ...ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Absorption Spectra of Fe, Mn, and Mg Water Complexes Calculated Using Density...structure associated with Fe, Mn, and Mg water complexes using time-dependent density functional theory (TD-DFT). Calculation of excited state resonance

Exciton Absorption Spectra by Linear Response Methods:Application to Conjugated Polymers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mosquera, Martin A.; Jackson, Nicholas E.; Fauvell, Thomas J.

The theoretical description of the timeevolution of excitons requires, as an initial step, the calculation of their spectra, which has been inaccessible to most users due to the high computational scaling of conventional algorithms and accuracy issues caused by common density functionals. Previously (J. Chem. Phys. 2016, 144, 204105), we developed a simple method that resolves these issues. Our scheme is based on a two-step calculation in which a linear-response TDDFT calculation is used to generate orbitals perturbed by the excitonic state, and then a second linear-response TDDFT calculation is used to determine the spectrum of excitations relative to themore » excitonic state. Herein, we apply this theory to study near-infrared absorption spectra of excitons in oligomers of the ubiquitous conjugated polymers poly(3-hexylthiophene) (P3HT), poly(2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (MEH-PPV), and poly(benzodithiophene-thieno[3,4-b]thiophene) (PTB7). For P3HT and MEH-PPV oligomers, the calculated intense absorption bands converge at the longest wavelengths for 10 monomer units, and show strong consistency with experimental measurements. The calculations confirm that the exciton spectral features in MEH-PPV overlap with those of the bipolaron formation. In addition, our calculations identify the exciton absorption bands in transient absorption spectra measured by our group for oligomers (1, 2, and 3 units) of PTB7. For all of the cases studied, we report the dominant orbital excitations contributing to the optically active excited state-excited state transitions, and suggest a simple rule to identify absorption peaks at the longest wavelengths. We suggest our methodology could be considered for further evelopments in theoretical transient spectroscopy to include nonadiabatic effects, coherences, and to describe the formation of species such as charge-transfer states and polaron pairs.« less

Composite Spectra of Broad Absorption Line Quasars in SDSS-III BOSS

NASA Astrophysics Data System (ADS)

Herbst, Hanna; Hamann, Fred; Paris, Isabelle; Capellupo, Daniel M.

2017-01-01

We present preliminary results from a study of broad absorption line (BAL) quasars in the SDSS-III BOSS survey. We’re particularly interested in BALs because they arise from quasar outflows, which may be a source of feedback to the host galaxy. We analyze median composite spectra for BOSS QSOs in the redshift range 2.1 to 3.4 sorted by the strength of the BAL absorption troughs, parameterized by the Balnicity Index (BI), to study trends in the emission and absorption properties of BAL quasars. The wavelength coverage and high number of quasars observed in the BOSS survey allow us to examine BALs in the Lyman forest. Our main preliminary results when sorting the quasars by BI are 1) doublet absorption lines such as P V 1128A show a 1:1 ratio across all BI, indicating large column densities at all BI. This suggests that weaker BAL troughs result from smaller covering fractions rather than lower column densities. 2) The He II emission line, which is a measure of the far-UV/near-UV hardness of the ionizing continuum, is weaker in the larger BI composite spectra, indicating a far-UV spectral softening correlated with BI. This is consistent with the radiatively-driven BAL outflows being helped by intrinsically weaker ionizing continuum shapes (e.g., Baskin, Laor, and Hamann 2013). We also find a trend for slightly redder continuum slopes in the larger BI composite spectra, suggesting that the slope differences in the near-UV are also intrinsic.

Trident: A Universal Tool for Generating Synthetic Absorption Spectra from Astrophysical Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hummels, Cameron B.; Smith, Britton D.; Silvia, Devin W.

Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales; however, the utility of these simulations is often limited by our ability to directly compare them with the data sets produced by observers: spectra, photometry, etc. To address this problem, we have created trident, a Python-based open-source tool for post-processing hydrodynamical simulations to produce synthetic absorption spectra and related data. trident can (i) create absorption-line spectra for any trajectory through a simulated data set mimicking both background quasar and down-the-barrel configurations; (ii) reproduce the spectral characteristics of common instruments like the Cosmic Origins Spectrograph;more » (iii) operate across the ultraviolet, optical, and infrared using customizable absorption-line lists; (iv) trace simulated physical structures directly to spectral features; (v) approximate the presence of ion species absent from the simulation outputs; (vi) generate column density maps for any ion; and (vii) provide support for all major astrophysical hydrodynamical codes. trident was originally developed to aid in the interpretation of observations of the circumgalactic medium and intergalactic medium, but it remains a general tool applicable in other contexts.« less

Trident: A Universal Tool for Generating Synthetic Absorption Spectra from Astrophysical Simulations

NASA Astrophysics Data System (ADS)

Hummels, Cameron B.; Smith, Britton D.; Silvia, Devin W.

2017-09-01

Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales; however, the utility of these simulations is often limited by our ability to directly compare them with the data sets produced by observers: spectra, photometry, etc. To address this problem, we have created trident, a Python-based open-source tool for post-processing hydrodynamical simulations to produce synthetic absorption spectra and related data. trident can (I) create absorption-line spectra for any trajectory through a simulated data set mimicking both background quasar and down-the-barrel configurations; (II) reproduce the spectral characteristics of common instruments like the Cosmic Origins Spectrograph; (III) operate across the ultraviolet, optical, and infrared using customizable absorption-line lists; (IV) trace simulated physical structures directly to spectral features; (v) approximate the presence of ion species absent from the simulation outputs; (VI) generate column density maps for any ion; and (vii) provide support for all major astrophysical hydrodynamical codes. trident was originally developed to aid in the interpretation of observations of the circumgalactic medium and intergalactic medium, but it remains a general tool applicable in other contexts.

Red-emitting LaOF:Eu{sup 3+} phosphors: Synthesis, structure and their Judd–Ofelt analysis for LED applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dhananjaya, N., E-mail: ndhananjayas@gmail.com; Shivakumara, C.; Saraf, Rohit

Highlights: • Red-emitting LaOF:Eu{sup 3+} phosphors were synthesized via facile solid state route. • Judd–Ofelt intensity parameters and radiative properties were determined from PL data. • CIE color coordinates of LaOF:Eu{sup 3+} phosphor is close to the commercial red phosphors. • Eu{sup 3+}-activated LaOF phosphor is a potential candidate for the production of red component in white LEDs. - Abstract: In the present study, we have synthesized a series of La{sub 1−x}Eu{sub x}OF (0.01 ≤ x ≤ 0.09) phosphors by the conventional solid-state reaction route at relatively low temperature (500 °C) and shorter duration of 2 h. The compounds weremore » crystallized in the rhombohedral structure with the space group R-3m (No. 166). Upon UV excitation (254 nm), the photoluminescence spectra exhibit characteristic luminescence {sup 5}D{sub 0} → {sup 7}F{sub J} (J = 1, 2, 3, and 4) intra-4f shell Eu{sup 3+} ion transitions. An intense red emission peak at 610 nm was observed due to electric dipole ({sup 5}D{sub 0} → {sup 7}F{sub 2}) transition. Judd–Ofelt theory was employed to evaluate various radiative parameters such as radiative emission rates, lifetime, branching and asymmetry ratios. CIE color coordinates confirmed the red emission of the phosphors. The luminescent results reveal that LaOF:Eu{sup 3+} phosphor can be used as potential candidate for developing red component in white LED applications.« less

Hierarchy of stochastic Schrödinger equation towards the calculation of absorption and circular dichroism spectra.

PubMed

Ke, Yaling; Zhao, Yi

2017-05-07

A theoretically solid and numerically exact method is presented for the calculation of absorption and circular dichroism (CD) spectra of molecular aggregates immersed in a harmonic bath constituted as the combination of some prominent quantized vibrational modes and continuous overdamped Brownian oscillators. The feasibility and the validity of newly proposed method are affirmed in the analytical monomer spectra. To go beyond the independent local bath approximation, all the correlations of site energy fluctuations and excitonic coupling fluctuations are included in our strategy, and their influence on the absorption and CD spectra is investigated based on the Frenkel exciton model of homodimer. In the end, a good fit of the absorption and part of CD spectra for the entire B800-B850 ring in the light-harvesting complexes 2 of purple bacteria to the experimental data is given, and the simulation results suggest that the asymmetry in the 800 nm region of CD spectra is actually an indication of B800-B850 inter-ring coupling.

Hierarchy of stochastic Schrödinger equation towards the calculation of absorption and circular dichroism spectra

NASA Astrophysics Data System (ADS)

Ke, Yaling; Zhao, Yi

2017-05-01

A theoretically solid and numerically exact method is presented for the calculation of absorption and circular dichroism (CD) spectra of molecular aggregates immersed in a harmonic bath constituted as the combination of some prominent quantized vibrational modes and continuous overdamped Brownian oscillators. The feasibility and the validity of newly proposed method are affirmed in the analytical monomer spectra. To go beyond the independent local bath approximation, all the correlations of site energy fluctuations and excitonic coupling fluctuations are included in our strategy, and their influence on the absorption and CD spectra is investigated based on the Frenkel exciton model of homodimer. In the end, a good fit of the absorption and part of CD spectra for the entire B800-B850 ring in the light-harvesting complexes 2 of purple bacteria to the experimental data is given, and the simulation results suggest that the asymmetry in the 800 nm region of CD spectra is actually an indication of B800-B850 inter-ring coupling.

Absorption spectra and light penetration depth of normal and pathologically altered human skin

NASA Astrophysics Data System (ADS)

Barun, V. V.; Ivanov, A. P.; Volotovskaya, A. V.; Ulashchik, V. S.

2007-05-01

A three-layered skin model (stratum corneum, epidermis, and dermis) and engineering formulas for radiative transfer theory are used to study absorption spectra and light penetration depths of normal and pathologically altered skin. The formulas include small-angle and asymptotic approximations and a layer-addition method. These characteristics are calculated for wavelengths used for low-intensity laser therapy. We examined several pathologies such as vitiligo, edema, erythematosus lupus, and subcutaneous wound, for which the bulk concentrations of melanin and blood vessels or tissue structure (for subcutaneous wound) change compared with normal skin. The penetration depth spectrum is very similar to the inverted blood absorption spectrum. In other words, the depth is minimal at blood absorption maxima. The calculated absorption spectra enable the power and irradiation wavelength providing the required light effect to be selected. Relationships between the penetration depth and the diffuse reflectance coefficient of skin (unambiguously expressed through the absorption coefficient) are analyzed at different wavelengths. This makes it possible to find relationships between the light fields inside and outside the tissue.

Near infrared cavity enhanced absorption spectra of atmospherically relevant ether-1, 4-Dioxane.

PubMed

Chandran, Satheesh; Varma, Ravi

2016-01-15

1, 4-Dioxane (DX) is a commonly found ether in industrially polluted atmosphere. The near infrared absorption spectra of this compound has been recorded in the region 5900-8230 cm(-1) with a resolution of 0.08 cm(-1) using a novel Fourier transform incoherent broadband cavity-enhanced absorption spectrometer (FT-IBBCEAS). All recorded spectra were found to contain regions that are only weakly perturbed. The possible combinations of fundamental modes and their overtone bands corresponding to selected regions in the measured spectra are tabulated. Two interesting spectral regions were identified as 5900-6400 cm(-1) and 8100-8230 cm(-1). No significant spectral interference due to presence of water vapor was observed suggesting the suitability of these spectral signatures for spectroscopic in situ detection of DX. The technique employed here is much more sensitive than standard Fourier transform spectrometer measurements on account of long effective path length achieved. Hence significant enhancement of weaker absorption lines above the noise level was observed as demonstrated by comparison with an available measurement from database. Copyright © 2015 Elsevier B.V. All rights reserved.

Studies of Time-Resolved Fluorescence Spectroscopy and Resolved Absorption Spectra of Nucleic Acid Components.

NASA Astrophysics Data System (ADS)

Fu, Yingxian

1993-01-01

There is considerable uncertainty about dynamic aspects of the photophysics of the adenylyl chromophore, stemming from the discordant values reported for the room temperature fluorescence lifetimes (tau_1 = 5 ps, tau_2 = 330 ps for 9MeAde; tau_1 = 290 ps, tau_2 = 4.17 ns for ATP). Spectra reported in conjunction with these lifetimes create difficulties in assignment of emission. To clarify this situation I have investigated the fluorescence decay times and time -resolved emission spectra of adenylyl compounds under a variety of conditions (concentration, pH, solvent) using sub-ns laser excitation at 265 nm together with gated fast sampling (100 ps) detection and signal averaging. Multi -component decays and spectra are observed in aqueous solution. Major slow components (tau = 4.4 +/- 0.2 ns) with emission maxima at 380 nm are found for all components at pH 1.1 and for ATP at pH 4.4. At pH 7 a fast component (<100 ps) predominates. There is no marked evidence for a concentration dependence, the oscillator strengths are 10^ {-3}-10^{-5} and transitions must be classified as weakly forbidden. Single component emission is observed in acetonitrile and ethanol. The UV absorption spectra of biomolecules d(CG) and polyd(GC)cdotpolyd(GC) exhibit the different hypochromic effects due to different interactions between guanosine(G) and cytidine(C) in stacked form. The present work has been carried out to explain this quantitatively. To approach this problem the absorption spectra of G and C have been resolved into gaussian components using the PeakFit program. The absorption spectra (220-310 nm) of d(CG) and polyd(GC)cdotpolyd(GC) have been fitted with gaussian components of G and C (in the order of increasing energy, G1 and G2, and C1, C2 and C3, respectively), and the contribution to both spectra from individual gaussians is estimated in terms of oscillator strengths. The fitting results suggest that the small hypochromism in absorption spectrum of d(CG) may be attributed

Photoluminescence and gain/absorption spectra of a driven-dissipative electron-hole-photon condensate

NASA Astrophysics Data System (ADS)

Hanai, Ryo; Littlewood, Peter B.; Ohashi, Yoji

2018-06-01

We investigate theoretically nonequilibrium effects on photoluminescence and gain/absorption spectra of a driven-dissipative exciton-polariton condensate, by employing the combined Hartree-Fock-Bogoliubov theory with the generalized random phase approximation extended to the Keldysh formalism. Our calculated photoluminescence spectra is in semiquantitative agreement with experiments, where features such as a blue shift of the emission from the condensate, the appearance of the dispersionless feature of a diffusive Goldstone mode, and the suppression of the dispersive profile of the mode are obtained. We show that the nonequilibrium nature of the exciton-polariton condensate strongly suppresses the visibility of the Bogoliubov dispersion in the negative energy branch (ghost branch) in photoluminescence spectra. We also show that the trace of this branch can be captured as a hole burning effect in gain/absorption spectra. Our results indicate that the nonequilibrium nature of the exciton-polariton condensate strongly reduces quantum depletion, while a scattering channel to the ghost branch is still present.

Protonation effects on the UV/Vis absorption spectra of imatinib: a theoretical and experimental study.

PubMed

Grante, Ilze; Actins, Andris; Orola, Liana

2014-08-14

An experimental and theoretical investigation of protonation effects on the UV/Vis absorption spectra of imatinib showed systematic changes of absorption depending on the pH, and a new absorption band appeared below pH 2. These changes in the UV/Vis absorption spectra were interpreted using quantum chemical calculations. The geometry of various imatinib cations in the gas phase and in ethanol solution was optimized with the DFT/B3LYP method. The resultant geometries were compared to the experimentally determined crystal structures of imatinib salts. The semi-empirical ZINDO-CI method was employed to calculate the absorption lines and electronic transitions. Our study suggests that the formation of the extra near-UV absorption band resulted from an increase of imatinib trication concentration in the solution, while the rapid increase of the first absorption maximum could be attributed to both the formation of imatinib trication and tetracation. Copyright © 2014 Elsevier B.V. All rights reserved.

Optical spectroscopy, 1.06μm emission properties of Nd3+-doped phosphate based glasses.

PubMed

Sk Nayab, Rasool; T, Sasikala; A, Mohan Babu; L, Rama Moorthy; C K, Jayasankar

2017-06-05

Neodymium doped phosphate based glasses with composition of (P 2 O 5 +K 2 O+Al 2 O 3 +CaF 2 ) were prepared. The samples were analysed through differential thermal analysis (DTA), Fourier transform infrared (FTIR), absorption, emission and decay measurements. Judd-Ofelt parameters (Ω λ ) have been determined from the spectral intensities of absorption bands in order to calculate the radiative parameters like radiative transition probabilities (A R ), radiative lifetime (τ R ) and branching ratios (β R ) for the 4 F 3/2 → 4 I 11/2 laser transition of Nd 3+ ion. The effective emission bandwidths (Δλ eff ), experimental branching ratios (β exp ) and stimulated emission cross-sections (σ e ) have been determined from the emission spectrum. The decay curves of the 4 F 3/2 level exhibited almost single exponential nature for all the Nd 3+ ion concentrations. Copyright © 2017 Elsevier B.V. All rights reserved.

Visible luminescence of Dy3+ doped PbF2-Li2O-SrO-ZnO-B2O3 glasses for yellow light applications

NASA Astrophysics Data System (ADS)

Anjaiah, G.; Sasikala, T.; Kistaiah, P.

2018-05-01

The present studies on various concentrations of Dy3+ ions doped PLSrZFB glasses were carried out through optical absorption, photoluminescence and decay time measurements. The Judd-Ofelt (JO) intensity parameters Ωλ (λ = 2,4,6) can be utilized to evaluate the emission properties. The decay curves for the 4F9/2 levels have been measured and these turns to non-exponential nature at higher concentrations (> 0.1 mol%) is due to energy transfer between the Dy3+-Dy3+ ions dipole -dipole type through cross relaxation channels. The CIE chromaticity color coordinates were calculated and they were all located within the vicinity of white region of the color coordination diagram. The Inokuti-Hirayama model is used to analyze the energy transfer process and also energy transfer parameters have been calculated and discussed.

Rare earth-doped barium gallo-germanate glasses and their near-infrared luminescence properties.

PubMed

Pisarska, Joanna; Sołtys, Marta; Górny, Agata; Kochanowicz, Marcin; Zmojda, Jacek; Dorosz, Jan; Dorosz, Dominik; Sitarz, Maciej; Pisarski, Wojciech A

2018-08-05

Near-infrared luminescence properties of Nd 3+ and Ho 3+ ions in barium gallo-germanate glasses have been reported. Several spectroscopic parameters for Nd 3+ and Ho 3+ ions have been determined from the Judd-Ofelt analysis and absorption/luminescence measurements. Quite large luminescence lifetime, quantum efficiency and stimulated emission cross-section have been obtained for the main 4 F 3/2  →  4 I 11/2 (Nd 3+ ) and 5 I 7  →  5 I 8 (Ho 3+ ) laser transitions of rare earths in barium gallo-germanate glasses. It suggests that barium gallo-germanate glass is promising for near-infrared laser application at emission wavelengths 1064 nm (Nd 3+ ) and 2020 nm (Ho 3+ ). Copyright © 2018 Elsevier B.V. All rights reserved.

A Simple Demonstration of Absorption Spectra Using Tungsten Holiday Lights

ERIC Educational Resources Information Center

Birriel, Jennifer J.

2009-01-01

In a previous paper submitted to the Demonstrations section (Birriel 2008, "Astronomy Education Review," 7, 147), I discussed using commercially available incandescent light bulbs for the purpose of demonstrating absorption spectra in the classroom or laboratory. This demonstration solved a long-standing problem that many of astronomy instructors…

Absorption in X-ray spectra of high-redshift quasars

NASA Technical Reports Server (NTRS)

Elvis, Martin; Fiore, Fabrizio; Wilkes, Belinda; Mcdowell, Jonathan; Bechtold, Jill

1994-01-01

We present evidence that X-ray absorption is common in high-redshift quasars. We have studied six high-redshift (z approximately 3) quasars with the ROSAT Position Sensitive Proportional Counter (PSPC) of which four are in directions of low Galactic N(sub H). Three out of these four show excess absorption, while only three in approximately 50 z approximately less than 0.4 quasars do, indicating that such absorption must be common, but not ubiquitous, at high redshifts, and that the absorbers must lie at z greater than 0.4. The six quasars were: S5 0014+81, Q0420-388, PKS 0438-436, S4 0636+680. PKS 2000-330, PKS 2126-158, which have redshifts between 2.85 and 3.78. PKS 0438-436 and PKS 2126-158 show evidence for absorption above the local Galactic value at better than 99.999% confidence level. If the absorber is at the redshift of the quasar, then values of N(sub H) = (0.86(+0.49, -0.28)) x 10(exp 22) atoms/sq cm for PKS 0438-436, and N(sub H) = (1.45(+1.20, -0.64)) x 10(exp 22) atoms/ sq cm for PKS 2126-158, are implied, assuming solar abundances. The spectrum of S4 0636+680 also suggests the presence of a similarly large absorption column density at the 98% confidence level. This absorption reverses the trend for the most luminous active galactic nuclei (AGN) to have the least X-ray absorption, so a new mechanism is likely to be responsible. Intervening absorption due to damped Lyman(alpha) systems is a plausible cause. We also suggest, as an intrinsic model, that intracluster material, e.g., a cooling flow, around the quasar could account for both the X-ray spectrum and other properties of these quasars. All the quasars are radio-loud and three are gigahertz peaked (two of the three showing absorption). No excess absorption above the Galactic value is seen toward Q0420-388. This quasar has two damped Lyman(alpha) systems at z = 3.08. The limit on the X-ray column density implies a low ionization fraction, N(H I)/N(H) approximately greater than 4 x 10(exp -3) (3

THERMAL ABSORPTION AS THE CAUSE OF GIGAHERTZ-PEAKED SPECTRA IN PULSARS AND MAGNETARS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewandowski, Wojciech; Rożko, Karolina; Kijak, Jarosław

2015-07-20

We present a model that explains the observed deviation of the spectra of some pulsars and magnetars from the power-law spectra that are seen in the bulk of the pulsar population. Our model is based on the assumption that the observed variety of pulsar spectra can be naturally explained by the thermal free–free absorption that takes place in the surroundings of the pulsars. In this context, the variety of the pulsar spectra can be explained according to the shape, density, and temperature of the absorbing media and the optical path of the line of sight across it. We have putmore » specific emphasis on the case of the radio magnetar SGR J1745–2900 (also known as the Sgr A* magnetar), modeling the rapid variations of the pulsar spectrum after the outburst of 2013 April as due to the free–free absorption of the radio emission in the electron material ejected during the magnetar outburst. The ejecta expands with time and consequently the absorption rate decreases and the shape of the spectrum changes in such a way that the peak frequency shifts toward the lower radio frequencies. In the hypothesis of an absorbing medium, we also discuss the similarity between the spectral behavior of the binary pulsar B1259–63 and the spectral peculiarities of isolated pulsars.« less

Structural and luminescence studies on Dy3+ doped lead boro-telluro-phosphate glasses

NASA Astrophysics Data System (ADS)

Selvi, S.; Venkataiah, G.; Arunkumar, S.; Muralidharan, G.; Marimuthu, K.

2014-12-01

This paper reports results obtained on the structural and luminescence properties of Dy3+doped lead boro-telluro-phosphate glasses prepared following the melt quenching technique. FTIR spectra exhibit the presence of B-O vibrations, P-O-P symmetric vibrations and Te-O stretching modes of TeO3 and TeO6 units. The metal-ligand bond was identified through UV-vis-NIR absorption spectra and to determine the band tailing parameter, direct and indirect band gap energy of the prepared glasses. The Judd-Ofelt (JO) intensity parameters (Ω2, Ω4 and Ω6), experimental and theoretical oscillator strengths were also determined and reported. Luminescence measurements were made to determine the transition probability (A), stimulated emission cross-section (σPE) and branching ratio (βR) for the transitions that include 4F9/2→6H11/2, 6H13/2 and 6H15/2 bands. The effect of Dy3+ ion concentration on the intensity ratio of yellow to blue emission bands has also been studied and reported. The lifetime corresponding to the 4F9/2 level of the title glasses has been found to decrease with the increase in Dy3+ ion concentration. The chromaticity coordinates (x,y) have been estimated from the luminescence spectra and the suitability of title glasses for white light applications has been analyzed using CIE chromaticity diagram. The variation of optical properties with the concentration of dysprosium oxide content in the glasses have been studied and reported.

Thermal, spectroscopic and laser properties of Nd3+ in gadolinium scandium gallium garnet crystal produced by optical floating zone method

NASA Astrophysics Data System (ADS)

Tian, Li; Wang, Shuxian; Wu, Kui; Wang, Baolin; Yu, Haohai; Zhang, Huaijin; Cai, Huaqiang; Huang, Hui

2013-12-01

A neodymium-doped gadolinium scandium gallium garnet (Nd:GSGG) single crystal with dimensions of Φ 5 × 20 mm2 has been grown by means of optical floating zone (OFZ). X-ray powder diffraction (XRPD) result shows that the as-grown Nd:GSGG crystal possesses a cubic structure with space group Ia3d and a cell parameter of a = 1.2561 nm. Effective elemental segregation coefficients of the Nd:GSGG as-grown crystal were calculated by using X-ray fluorescence (XRF). The thermal properties of the Nd:GSGG crystal were systematically studied by measuring the specific heat, thermal expansion and thermal diffusion coefficient, and the thermal conductivity of this crystal was calculated. The absorption and luminescence spectra of Nd:GSGG were measured at room temperature (RT). By using the Judd-Ofelt (J-O) theory, the theoretical radiative lifetime was calculated and compared with the experimental result. Continuous wave (CW) laser performance was achieved with the Nd:GSGG at the wavelength of 1062 nm when it was pumped by a laser diode (LD). A maximum output power of 0.792 W at 1062 nm was obtained with a slope efficiency of 11.89% under a pump power of 7.36 W, and an optical-optical conversion efficiency of 11.72%.

Ionic species produced on gamma radiolysis: Studies by matrix isolation technique—I. Electronic absorption spectra of perfluorosubstituted aromatic radical anions

NASA Astrophysics Data System (ADS)

Shou-te, Lian C. T.; Mittal, Jai P.

The absorption spectra of several perfluorosubstituted aromatic radical anions are compared with the corresponding perhydro compounds in which the various transitions involved have been assigned to those predicted theoretically. The electronic absorption spectra were obtained for pentafluorostyrene, pentafluorobenzaldehyde, pentafluorobenzoic acid, pentafluorobenzonitride, tetrafluorophthalic acid and pentafluoroaniline, by gamma radiolysis in 2-methyltetrahydrofuran at 77 K. A general similarity in the absorption spectra between the perfluorinated and the corresponding perhydro radical anion is observed except for a shift in the absorption band.

Spectroscopic studies of Sm3+ ions activated lithium lead alumino borate glasses for visible luminescent device applications

NASA Astrophysics Data System (ADS)

Deopa, Nisha; Rao, A. S.

2017-10-01

Photoluminescence (PL) characterization of Lithium Lead Alumino Borate (LiPbAlB) glasses doped with Sm3+ ions at varying concentrations have been studied by using absorption, excitation, emission, time resolved and confocal image measurements. From the absorption spectra, Judd-Ofelt (J-O) intensity parameters were evaluated and in turn used to estimate various radiative parameters for the fluorescent levels of Sm3+ ion doped LiPbAlB glasses. The PL spectra of Sm3+ ions exhibit three emission bands corresponding to the transitions 4G5/2 → 6H5/2, 6H7/2 and 6H9/2, for which the emission cross-sections and branching ratios were evaluated to know the potentialities of these materials as visible luminescent devices. The decay spectral profiles measured for 4G5/2 → 6H7/2 transition level were used to estimate quantum efficiency of the as-prepared glasses. The non-exponential decay curves observed for higher Sm3+ ion concentrations were well fitted to Inokuti-Hirayama model to understand the predominant energy transfer mechanism involved in the as-prepared glasses. CIE chromaticity coordinates and correlated color temperatures (CCT) were evaluated to understand the utility of the titled glasses in cool white light generation. The confocal images captured under 405 nm CW laser excitation show intense reddish-orange color. From the evaluated radiative parameters, emission cross-sections, quantum efficiency, CIE co-ordinates, CCT temperatures and confocal images, it was observed that LiPbAlB glass with 0.5 mol% Sm3+ ions are more suitable for w-LEDs and reddish-orange luminescent device applications.

Absorption and emission spectra of Li atoms trapped in rare gas matrices

NASA Astrophysics Data System (ADS)

Wright, J. J.; Balling, L. C.

1980-10-01

Pulsed-dye-laser excitation has been used to investigate the optical absorption and emission spectra of Li atoms trapped in Ar, Kr, and Xe matrices at 10 °K. Attempts to stabilize Li atoms in a Ne matrix at 2 °K were unsuccessful. Results for all three rare gases were qualitatively the same. White light absorption scans showed a single absorption with three peaks centered near the free-atom 2s→2p transition wavelength. The intensity of fluorescence produced by dye-laser excitation within this absorption band was measured as a function of emission wavelength. Excitation of the longest- and shortest-wavelength absorption peaks produced identical emission profiles, but no distinct fluorescence signal was detected when the laser was tuned to the central absorption peaks, indicating that the apparent absorption triplet is actually the superposition of a singlet and a doublet absorption originating from two different trapping sites. No additional absorption bands were detected.

Effect of pyridine on infrared absorption spectra of copper phthalocyanine.

PubMed

Singh, Sukhwinder; Tripathi, S K; Saini, G S S

2008-02-01

Infrared absorption spectra of copper phthalocyanine in KBr pellet and pyridine solution in 400-1625 and 2900-3200 cm(-1)regions are reported. In the IR spectra of solid sample, presence of weak bands, which are forbidden according to the selection rules of D4h point group, is explained on the basis of distortion in the copper phthalocyanine molecule caused by the crystal packing effects. Observation of a new band at 1511 cm(-1) and change in intensity of some other bands in pyridine are interpreted on the basis of coordination of the solvent molecule with the central copper ion.

Applications of principal component analysis to breath air absorption spectra profiles classification

NASA Astrophysics Data System (ADS)

Kistenev, Yu. V.; Shapovalov, A. V.; Borisov, A. V.; Vrazhnov, D. A.; Nikolaev, V. V.; Nikiforova, O. Y.

2015-12-01

The results of numerical simulation of application principal component analysis to absorption spectra of breath air of patients with pulmonary diseases are presented. Various methods of experimental data preprocessing are analyzed.

Calculation of optical and K pre-edge absorption spectra for ferrous iron of distorted sites in oxide crystals

NASA Astrophysics Data System (ADS)

Vercamer, Vincent; Hunault, Myrtille O. J. Y.; Lelong, Gérald; Haverkort, Maurits W.; Calas, Georges; Arai, Yusuke; Hijiya, Hiroyuki; Paulatto, Lorenzo; Brouder, Christian; Arrio, Marie-Anne; Juhin, Amélie

2016-12-01

Advanced semiempirical calculations have been performed to compute simultaneously optical absorption and K pre-edge x-ray absorption spectra of Fe2 + in four distinct site symmetries found in minerals. The four symmetries, i.e., a distorted octahedron, a distorted tetrahedron, a square planar site, and a trigonal bipyramidal site, are representative of the Fe2 + sites found in crystals and glasses. A particular attention has been paid to the definition of the p -d hybridization Hamiltonian which occurs for noncentrosymmetric symmetries in order to account for electric dipole transitions. For the different sites under study, an excellent agreement between calculations and experiments was found for both optical and x-ray absorption spectra, in particular in terms of relative intensities and energy positions of electronic transitions. To our knowledge, these are the first calculations of optical absorption spectra on Fe2 + placed in such diverse site symmetries, including centrosymmetric sites. The proposed theoretical model should help to interpret the features of both the optical absorption and the K pre-edge absorption spectra of 3 d transition metal ions and to go beyond the usual fingerprint interpretation.

Spectroscopic properties and energy transfer parameters of Er3+- doped fluorozirconate and oxyfluoroaluminate glasses

PubMed Central

Huang, Feifei; Liu, Xueqiang; Hu, Lili; Chen, Danping

2014-01-01

Er3+- doped fluorozirconate (ZrF4-BaF2-YF3-AlF3) and oxyfluoroaluminate glasses are successfully prepared here. These glasses exhibit significant superiority compared with traditional fluorozirconate glass (ZrF4-BaF2-LaF3-AlF3-NaF) because of their higher temperature of glass transition and better resistance to water corrosion. Judd-Ofelt (J-O) intensity parameters are evaluated and used to compute the radiative properties based on the VIS-NIR absorption spectra. Broad emission bands located at 1535 and 2708 nm are observed, and large calculated emission sections are obtained. The intensity of 2708 nm emission closely relates to the phonon energy of host glass. A lower phonon energy leads to a more intensive 2708 nm emission. The energy transfer processes of Er3+ ions are discussed and lifetime of Er3+: 4I13/2 is measured. It is the first time to observe that a longer lifetime of the 4I13/2 level leads to a less intensive 1535 nm emission, because the lifetime is long enough to generate excited state absorption (ESA) and energy transfer (ET) processes. These results indicate that the novel glasses possess better chemical and thermal properties as well as excellent optical properties compared with ZBLAN glass. These Er3+- doped ZBYA and oxyfluoroaluminate glasses have potential applications as laser materials. PMID:24852112

Spectroscopic properties and energy transfer parameters of Er3+-doped fluorozirconate and oxyfluoroaluminate glasses.

PubMed

Huang, Feifei; Liu, Xueqiang; Hu, Lili; Chen, Danping

2014-05-23

Er3+-doped fluorozirconate (ZrF4-BaF2-YF3-AlF3) and oxyfluoroaluminate glasses are successfully prepared here. These glasses exhibit significant superiority compared with traditional fluorozirconate glass (ZrF4-BaF2-LaF3-AlF3-NaF) because of their higher temperature of glass transition and better resistance to water corrosion. Judd-Ofelt (J-O) intensity parameters are evaluated and used to compute the radiative properties based on the VIS-NIR absorption spectra. Broad emission bands located at 1535 and 2708 nm are observed, and large calculated emission sections are obtained. The intensity of 2708 nm emission closely relates to the phonon energy of host glass. A lower phonon energy leads to a more intensive 2708 nm emission. The energy transfer processes of Er3+ ions are discussed and lifetime of Er3+:4I13/2 is measured. It is the first time to observe that a longer lifetime of the 4I13/2 level leads to a less intensive 1535 nm emission, because the lifetime is long enough to generate excited state absorption (ESA) and energy transfer (ET) processes. These results indicate that the novel glasses possess better chemical and thermal properties as well as excellent optical properties compared with ZBLAN glass. These Er3+-doped ZBYA and oxyfluoroaluminate glasses have potential applications as laser materials.

The absorption spectra of the complexes of uranium (VI) with some β-diketones

USGS Publications Warehouse

Feinstein, H.I.

1956-01-01

The absorption spectra of the complexes of uranium (VI) with four β-dike tones were determined under various conditions of pH, concentration of uranium, and alcohol concentration. Under optimum conditions, the maximum molar absorptivity (31,200) is obtained using 2-furoyltrifluoroacetone. This compares with about 4,000 and 19,000 for the thiocyanate and dibenzoylmethane complexes, respectively.

Dependence of the electronic absorption spectra of aqueous solutions of iodine monochloride on the conditions of dilution and storage time

NASA Astrophysics Data System (ADS)

Klyubin, V. V.; Klyubina, K. A.; Makovetskaya, K. N.

2017-04-01

The electronic absorption spectra of aqueous solutions of iodine monochloride ICl are studied. The spectra of as-prepared solutions display the absorption band associated with hydrated ICl molecules. An additional band indicating that molecular iodine was formed in the solution emerges in the spectrum as dissolution takes place. Only the band belonging to iodine monochloride remains in the absorption spectra, and no additional bands appear after chloride anions Cl- are added to the solution. The absorption spectrum becomes more complex when ICl is dissolved in an alkaline medium. The band belonging to molecular iodine emerges in the spectra at low alkali concentrations, while being transformed to other shorter-wavelength bands at high alkali concentrations (pH ≥ 12).

Exploration of faint absorption bands in the reflectance spectra of the asteroids by method of optimal smoothing: Vestoids

NASA Astrophysics Data System (ADS)

Shestopalov, D. I.; McFadden, L. A.; Golubeva, L. F.

2007-04-01

An optimization method of smoothing noisy spectra was developed to investigate faint absorption bands in the visual spectral region of reflectance spectra of asteroids and the compositional information derived from their analysis. The smoothing algorithm is called "optimal" because the algorithm determines the best running box size to separate weak absorption bands from the noise. The method is tested for its sensitivity to identifying false features in the smoothed spectrum, and its correctness of forecasting real absorption bands was tested with artificial spectra simulating asteroid reflectance spectra. After validating the method we optimally smoothed 22 vestoid spectra from SMASS1 [Xu, Sh., Binzel, R.P., Burbine, T.H., Bus, S.J., 1995. Icarus 115, 1-35]. We show that the resulting bands are not telluric features. Interpretation of the absorption bands in the asteroid spectra was based on the spectral properties of both terrestrial and meteorite pyroxenes. The bands located near 480, 505, 530, and 550 nm we assigned to spin-forbidden crystal field bands of ferrous iron, whereas the bands near 570, 600, and 650 nm are attributed to the crystal field bands of trivalent chromium and/or ferric iron in low-calcium pyroxenes on the asteroids' surface. While not measured by microprobe analysis, Fe 3+ site occupancy can be measured with Mössbauer spectroscopy, and is seen in trace amounts in pyroxenes. We believe that trace amounts of Fe 3+ on vestoid surfaces may be due to oxidation from impacts by icy bodies. If that is the case, they should be ubiquitous in the asteroid belt wherever pyroxene absorptions are found. Pyroxene composition of four asteroids of our set is determined from the band position of absorptions at 505 and 1000 nm, implying that there can be orthopyroxenes in all range of ferruginosity on the vestoid surfaces. For the present we cannot unambiguously interpret of the faint absorption bands that are seen in the spectra of 4005 Dyagilev, 4038

Infrared absorption spectra of molecular crystals: Possible evidence for small-polaron formation?

NASA Astrophysics Data System (ADS)

Pržulj, Željko; Čevizović, Dalibor; Zeković, Slobodan; Ivić, Zoran

2008-09-01

The temperature dependence of the position of the so-called anomalous band peaked at 1650cm in the IR-absorption spectrum of crystalline acetanilide (ACN) is theoretically investigated within the small-polaron theory. Its pronounced shift towards the position of the normal band is predicted with the rise of temperature. Interpretation of the IR-absorption spectra in terms of small-polaron model has been critically assessed on the basis of these results.

Aprotic solvents effect on the UV-visible absorption spectra of bixin

NASA Astrophysics Data System (ADS)

Rahmalia, Winda; Fabre, Jean-François; Usman, Thamrin; Mouloungui, Zéphirin

2014-10-01

We describe here the effects of aprotic solvents on the spectroscopic characteristics of bixin. Bixin was dissolved in dimethyl sulfoxide, acetone, dichloromethane, ethyl acetate, chloroform, dimethyl carbonate, cyclohexane and hexane, separately, and its spectra in the resulting solutions were determined by UV-visible spectrophotometry at normal pressure and room temperature. We analyzed the effect of aprotic solvents on λmax according to Onsager cavity model and Hansen theory, and determined the approximate absorption coefficient with the Beer-Lambert law. We found that the UV-visible absorption spectra of bixin were found to be solvent dependent. The S0 → S2 transition energy of bixin in solution was dependent principally on the refractive index of the solvents and the bixin-solvent dispersion interaction. There was a small influence of the solvents dielectric constant, permanent dipole interaction and hydrogen bonding occurred between bixin and solvents. The absorbance of bixin in various solvents, with the exception of hexane, increased linearly with concentration.

Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

DTIC Science & Technology

2016-06-03

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited-State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited-state

Detection of significant differences between absorption spectra of neutral helium and low temperature photoionized helium plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bartnik, A.; Wachulak, P.; Fiedorowicz, H.

2013-11-15

In this work, spectral investigations of photoionized He plasmas were performed. The photoionized plasmas were created by irradiation of helium stream, with intense pulses from laser-plasma extreme ultraviolet (EUV) source. The EUV source was based on a double-stream Xe/Ne gas-puff target irradiated with 10 ns/10 J Nd:YAG laser pulses. The most intense emission from the source spanned a relatively narrow spectral region below 20 nm, however, spectrally integrated intensity at longer wavelengths was also significant. The EUV radiation was focused onto a gas stream, injected into a vacuum chamber synchronously with the EUV pulse. The long-wavelength part of the EUVmore » radiation was used for backlighting of the photoionized plasmas to obtain absorption spectra. Both emission and absorption spectra in the EUV range were investigated. Significant differences between absorption spectra acquired for neutral helium and low temperature photoionized plasmas were demonstrated for the first time. Strong increase of intensities and spectral widths of absorption lines, together with a red shift of the K-edge, was shown.« less

Single crystal absorption spectra of synthetic Ti, Fe-substituted pyropes

NASA Astrophysics Data System (ADS)

Khomenko, V. M.; Langer, K.; Andrut, M.; Koch-Müller, M.; Vishnevsky, A. A.

1994-11-01

Synthetic pyrope crystals up to 0.5 mm in diameter, substituted by titanium or by titanium plus iron, were grown under defined conditions of P, T, f_{O_2 } in the presence of water using a piston-cylinder device. The crystals were characterized by X-ray and microprobe techniques. Their single-crystal optical absorption spectra were measured by means of a microscope-spectrometer. Two absorption bands at 16100 and 22300 cm{cm-1} in the spectra of pale-blue Fe-free Ti-bearing pyropes, grown under reduced conditions, were identified as originating from spin-allowed transitions, derived from 2 T 2g → 2 E g of octahedral Ti3+ ions. The splitting value of the excited 2E g state, 6200 cm-1, and the crystal field parameter of Ti3+ in pyrope Δ 0 = 19 200 cm-1 are both in agreement with literature data. In spectra of brown Fe, Ti-bearing garnets, a broad band at 23000 cm-1 was interpreted as a Fe2+[8] → Ti4+[6] charge-transfer band. The spectral position and width of this band agree with those observed for a FeTi charge transfer band in natural garnets. Fe, Ti-containing garnets synthesized at relatively high oxygen fugacity (10-11,0 atm), which permits a fraction of Fe3+ to enter the garnet, show an additional Fe2+[8] → Fe3+[6] charge transfer band at 19800 cm-1.

Understanding the features in the ultrafast transient absorption spectra of CdSe quantum dots

NASA Astrophysics Data System (ADS)

Zhang, Cheng; Do, Thanh Nhut; Ong, Xuanwei; Chan, Yinthai; Tan, Howe-Siang

2016-12-01

We describe a model to explain the features of the ultrafast transient absorption (TA) spectra of CdSe core type quantum dots (QDs). The measured TA spectrum consists of contributions by the ground state bleach (GSB), stimulated emission (SE) and excited state absorption (ESA) processes associated with the three lowest energy transition of the QDs. We model the shapes of the GSB, SE and ESA spectral components after fits to the linear absorption. The spectral positions of the ESA components take into account the biexcitonic binding energy. In order to obtain the correct weightage of the GSB, SE and ESA components to the TA spectrum, we enumerate the set of coherence transfer pathways associated with these processes. From our fits of the experimental TA spectra of 65 Å diameter QDs, biexcitonic binding energies for the three lowest energy transitions are obtained.

[Study on the effect of solar spectra on the retrieval of atmospheric CO2 concentration using high resolution absorption spectra].

PubMed

Hu, Zhen-Hua; Huang, Teng; Wang, Ying-Ping; Ding, Lei; Zheng, Hai-Yang; Fang, Li

2011-06-01

Taking solar source as radiation in the near-infrared high-resolution absorption spectrum is widely used in remote sensing of atmospheric parameters. The present paper will take retrieval of the concentration of CO2 for example, and study the effect of solar spectra resolution. Retrieving concentrations of CO2 by using high resolution absorption spectra, a method which uses the program provided by AER to calculate the solar spectra at the top of atmosphere as radiation and combine with the HRATS (high resolution atmospheric transmission simulation) to simulate retrieving concentration of CO2. Numerical simulation shows that the accuracy of solar spectrum is important to retrieval, especially in the hyper-resolution spectral retrieavl, and the error of retrieval concentration has poor linear relation with the resolution of observation, but there is a tendency that the decrease in the resolution requires low resolution of solar spectrum. In order to retrieve the concentration of CO2 of atmosphere, the authors' should take full advantage of high-resolution solar spectrum at the top of atmosphere.

Optical transitions of Er3+/Yb3+ codoped TeO2-WO3-Bi2O3 glass.

PubMed

Shen, Xiang; Nie, Qiuhua; Xu, Tiefeng; Gao, Yuan

2005-10-01

Optical absorption and emission properties of the Er3+/Yb3+ codoped TeO2-WO3-Bi2O3 (TWB) glass has been investigated. The transition probabilities, excited state lifetimes, and the branching ratios have been predicted for Er3+ based on the Judd-Ofelt theory. The broad 1.5 microm fluorescence was observed under 970 nm excitation, and its full width at half maximum (FWHM) is 77 nm. The emission cross-section is calculated using the McCumber theory, and the peak emission cross-section is 1.03 x 10(-21) cm2 at 1.531 microm. This value is much larger than those of the silicate and phosphate glasses. Efficient green and weak red upconversion luminescence from Er3+ centers in the glass sample was observed at room temperature, and the upconversion excitation processes have been analyzed.

Substituent and Solvent Effects on the Absorption Spectra of Cation-π Complexes of Benzene and Borazine: A Theoretical Study.

PubMed

Sarmah, Nabajit; Bhattacharyya, Pradip Kr; Bania, Kusum K

2014-05-29

Time-dependent density functional theory (TDDFT) has been used to predict the absorption spectra of cation-π complexes of benzene and borazine. Both polarized continuum model (PCM) and discrete solvation model (DSM) and a combined effect of PCM and DSM on the absorption spectra have been elucidated. With decrease in size of the cation, the π → π* transitions of benzene and borazine are found to undergo blue and red shift, respectively. A number of different substituents (both electron-withdrawing and electron-donating) and a range of solvents (nonpolar to polar) have been considered to understand the effect of substituent and solvents on the absorption spectra of the cation-π complexes of benzene and borazine. Red shift in the absorption spectra of benzene cation-π complexes are observed with both electron-donating groups (EDGs) and electron-withdrawing groups (EWGs). The same trend has not been observed in the case of substituted borazine cation-π complexes. The wavelength of the electronic transitions corresponding to cation-π complexes correlates well with the Hammet constants (σ p and σ m ). This correlation indicates that the shifting of spectral lines of the cation-π complexes on substitution is due to both resonance and inductive effect. On incorporation of solvent phases, significant red or blue shifting in the absorption spectra of the complexes has been observed. Kamlet-Taft multiparametric equation has been used to explain the effect of solvent on the absorption spectra of complexes. Polarity and polarizability are observed to play an important role in the solvatochromism of the cation-π complexes.

Laboratory absorption spectra of molecules at interstellar cloud temperatures - First measurements on CO at about 97 nm

NASA Technical Reports Server (NTRS)

Smith, P. L.; Yoshino, K.; Stark, G.; Ito, K.; Stevens, M. H.

1991-01-01

In the 91-100 nm spectral region, where absorption of photons by interstellar CO usually leads to dissociation, laboratory spectra obtained at 295 K show that most CO bands are both overlapped and perturbed. Reliable band oscillator strengths cannot be extracted from such spectra. As a consequence, synthetic extreme-ultraviolet absorption spectra for CO at the low temperatures that prevail in interstellar clouds are uncertain. A supersonic expansion technique has been used to cool CO to 30 K and three bands in the 97-nm region have been studied with high spectral resolution. The measured spectrum at 30 K is in reasonable agreement with some published modeled spectra, but the ratios of integrated cross sections are somewhat different from those determined from low resolution spectra obtained at 295 K, in which the bands are blended.

X-ray absorption spectra: Graphene, h-BN, and their alloy

NASA Astrophysics Data System (ADS)

Bhowmick, Somnath; Rusz, Jan; Eriksson, Olle

2013-04-01

Using first-principles density functional theory calculations, in conjunction with the Mahan-Nozières-de Dominicis theory, we calculate the x-ray absorption spectra of the alloys of graphene and monolayer hexagonal boron nitride on a Ni (111) substrate. The chemical neighborhood of the constituent atoms (B, C, and N) inside the alloy differs from that of the parent phases. In a systematic way, we capture the change in the K-edge spectral shape, depending on the chemical neighborhood of B, C, and N. Our work also reiterates the importance of the dynamical core-hole screening for a proper description of the x-ray absorption process in sp2-bonded layered materials.

Plant phenolics and absorption features in vegetation reflectance spectra near 1.66 μm

USGS Publications Warehouse

Kokaly, Raymond F.; Skidmore, Andrew K

2015-01-01

Past laboratory and field studies have quantified phenolic substances in vegetative matter from reflectance measurements for understanding plant response to herbivores and insect predation. Past remote sensing studies on phenolics have evaluated crop quality and vegetation patterns caused by bedrock geology and associated variations in soil geochemistry. We examined spectra of pure phenolic compounds, common plant biochemical constituents, dry leaves, fresh leaves, and plant canopies for direct evidence of absorption features attributable to plant phenolics. Using spectral feature analysis with continuum removal, we observed that a narrow feature at 1.66 μm is persistent in spectra of manzanita, sumac, red maple, sugar maple, tea, and other species. This feature was consistent with absorption caused by aromatic C-H bonds in the chemical structure of phenolic compounds and non-hydroxylated aromatics. Because of overlapping absorption by water, the feature was weaker in fresh leaf and canopy spectra compared to dry leaf measurements. Simple linear regressions of feature depth and feature area with polyphenol concentration in tea resulted in high correlations and low errors (% phenol by dry weight) at the dry leaf (r2 = 0.95, RMSE = 1.0%, n = 56), fresh leaf (r2 = 0.79, RMSE = 2.1%, n = 56), and canopy (r2 = 0.78, RMSE = 1.0%, n = 13) levels of measurement. Spectra of leaves, needles, and canopies of big sagebrush and evergreens exhibited a weak absorption feature centered near 1.63 μm, short ward of the phenolic compounds, possibly consistent with terpenes. This study demonstrates that subtle variation in vegetation spectra in the shortwave infrared can directly indicate biochemical constituents and be used to quantify them. Phenolics are of lesser abundance compared to the major plant constituents but, nonetheless, have important plant functions and ecological significance. Additional research is needed to advance our understanding of the

Plant phenolics and absorption features in vegetation reflectance spectra near 1.66 μm

NASA Astrophysics Data System (ADS)

Kokaly, Raymond F.; Skidmore, Andrew K.

2015-12-01

Past laboratory and field studies have quantified phenolic substances in vegetative matter from reflectance measurements for understanding plant response to herbivores and insect predation. Past remote sensing studies on phenolics have evaluated crop quality and vegetation patterns caused by bedrock geology and associated variations in soil geochemistry. We examined spectra of pure phenolic compounds, common plant biochemical constituents, dry leaves, fresh leaves, and plant canopies for direct evidence of absorption features attributable to plant phenolics. Using spectral feature analysis with continuum removal, we observed that a narrow feature at 1.66 μm is persistent in spectra of manzanita, sumac, red maple, sugar maple, tea, and other species. This feature was consistent with absorption caused by aromatic Csbnd H bonds in the chemical structure of phenolic compounds and non-hydroxylated aromatics. Because of overlapping absorption by water, the feature was weaker in fresh leaf and canopy spectra compared to dry leaf measurements. Simple linear regressions of feature depth and feature area with polyphenol concentration in tea resulted in high correlations and low errors (% phenol by dry weight) at the dry leaf (r2 = 0.95, RMSE = 1.0%, n = 56), fresh leaf (r2 = 0.79, RMSE = 2.1%, n = 56), and canopy (r2 = 0.78, RMSE = 1.0%, n = 13) levels of measurement. Spectra of leaves, needles, and canopies of big sagebrush and evergreens exhibited a weak absorption feature centered near 1.63 μm, short ward of the phenolic compounds, possibly consistent with terpenes. This study demonstrates that subtle variation in vegetation spectra in the shortwave infrared can directly indicate biochemical constituents and be used to quantify them. Phenolics are of lesser abundance compared to the major plant constituents but, nonetheless, have important plant functions and ecological significance. Additional research is needed to advance our understanding of the spectral influences

Universal formulation of excitonic linear absorption spectra in all semiconductor microstructures

NASA Astrophysics Data System (ADS)

Lefebvre, Pierre; Christol, Philippe; Mathieu, Henry

1995-01-01

We present a generalization of the well-known exciton absorption calculations of Elliott [Phys. Rev. 108, 1384 (1957)], in the 3-dimensional case, and of Shinada and Sugano [J. Phys. Soc. Japan 21, 1936 (1966)], for 2-dimensional media: We calculate the optical absorption spectra of bound and unbound exciton states, by using a metric space with a noninteger dimension α (1 < α), obtaining almost exactly the same theoretical lineshapes as those resulting from accurate but costly numerical approaches [Chuang et al. Phys. Rev. B, 43, 1500 (1991); Benner and Haug, Phys. Rev. B 47, 15750 (1993)].

Aprotic solvents effect on the UV-visible absorption spectra of bixin.

PubMed

Rahmalia, Winda; Fabre, Jean-François; Usman, Thamrin; Mouloungui, Zéphirin

2014-10-15

We describe here the effects of aprotic solvents on the spectroscopic characteristics of bixin. Bixin was dissolved in dimethyl sulfoxide, acetone, dichloromethane, ethyl acetate, chloroform, dimethyl carbonate, cyclohexane and hexane, separately, and its spectra in the resulting solutions were determined by UV-visible spectrophotometry at normal pressure and room temperature. We analyzed the effect of aprotic solvents on λmax according to Onsager cavity model and Hansen theory, and determined the approximate absorption coefficient with the Beer-Lambert law. We found that the UV-visible absorption spectra of bixin were found to be solvent dependent. The S0→S2 transition energy of bixin in solution was dependent principally on the refractive index of the solvents and the bixin-solvent dispersion interaction. There was a small influence of the solvents dielectric constant, permanent dipole interaction and hydrogen bonding occurred between bixin and solvents. The absorbance of bixin in various solvents, with the exception of hexane, increased linearly with concentration. Copyright © 2014 Elsevier B.V. All rights reserved.

A wavelet analysis for the X-ray absorption spectra of molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Penfold, T. J.; Ecole polytechnique Federale de Lausanne, Laboratoire de chimie et biochimie computationnelles, ISIC, FSB-BCH, CH-1015 Lausanne; SwissFEL, Paul Scherrer Inst, CH-5232 Villigen

2013-01-07

We present a Wavelet transform analysis for the X-ray absorption spectra of molecules. In contrast to the traditionally used Fourier transform approach, this analysis yields a 2D correlation plot in both R- and k-space. As a consequence, it is possible to distinguish between different scattering pathways at the same distance from the absorbing atom and between the contributions of single and multiple scattering events, making an unambiguous assignment of the fine structure oscillations for complex systems possible. We apply this to two previously studied transition metal complexes, namely iron hexacyanide in both its ferric and ferrous form, and a rheniummore » diimine complex, [ReX(CO){sub 3}(bpy)], where X = Br, Cl, or ethyl pyridine (Etpy). Our results demonstrate the potential advantages of using this approach and they highlight the importance of multiple scattering, and specifically the focusing phenomenon to the extended X-ray absorption fine structure (EXAFS) spectra of these complexes. We also shed light on the low sensitivity of the EXAFS spectrum to the Re-X scattering pathway.« less

First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Su, Gregory M.; Patel, Shrayesh N.; Pemmaraju, C. D.

The electronic structure and molecular orientation of semiconducting polymers in thin films determine their ability to transport charge. Methods based on near-edge X-ray absorption fine structure (NEXAFS) spectroscopy can be used to probe both the electronic structure and microstructure of semiconducting polymers in both crystalline and amorphous films. However, it can be challenging to interpret NEXAFS spectra on the basis of experimental data alone, and accurate, predictive calculations are needed to complement experiments. Here, we show that first-principles density functional theory (DFT) can be used to model NEXAFS spectra of semiconducting polymers and to identify the nature of transitions inmore » complicated NEXAFS spectra. Core-level X-ray absorption spectra of a set of semiconducting polymers were calculated using the excited electron and core-hole (XCH) approach based on constrained-occupancy DFT. A comparison of calculations on model oligomers and periodic structures with experimental data revealed the requirements for accurate prediction of NEXAFS spectra of both conjugated homopolymers and donor–acceptor polymers. The NEXAFS spectra predicted by the XCH approach were applied to study molecular orientation in donor–acceptor polymers using experimental spectra and revealed the complexity of using carbon edge spectra in systems with large monomeric units. The XCH approach has sufficient accuracy in predicting experimental NEXAFS spectra of polymers that it should be considered for design and analysis of measurements using soft X-ray techniques, such as resonant soft X-ray scattering and scanning transmission X-ray microscopy.« less

Recording of absorption spectra by a three-beam integral technique with a tunable laser and external cavity

NASA Astrophysics Data System (ADS)

Korolenko, P. V.; Nikolaev, I. V.; Ochkin, V. N.; Tskhai, S. N.

2014-04-01

An integral method is considered for recording absorption using three laser beams transmitted through and reflected from an external cavity with the absorbing medium (R-ICOS). The method is the elaboration of a known single-beam ICOS method and allows suppression of the influence of radiation phase fluctuations in the resonator on recording weak absorption spectra. First of all, this reduces high-frequency instabilities and gives a possibility to record spectra during short time intervals. In this method, mirrors of the resonator may have moderate reflection coefficients. Capabilities of the method have been demonstrated by the examples of weak absorption spectra of atmospheric methane and natural gas in a spectral range around 1650 nm. With the mirrors having the reflection coefficients of 0.8-0.99, a spectrum can be recorded for 320 μs with the accuracy sufficient for detecting a background concentration of methane in atmosphere. For the acquisition time of 20 s, the absorption coefficients of ~2×10-8 cm-1 can be measured, which corresponds to a 40 times less molecule concentration than the background value.

The Mid-Infrared Absorption Spectra of Neutral PAHs in Dense Interstellar Clouds

NASA Technical Reports Server (NTRS)

Bernstein, M. P.; Sandford, S. A.; Allamandola, L. J.

2005-01-01

Polycyclic aromatic hydrocarbons (PAHs) are common throughout the universe and are expected to be present in dense interstellar clouds. In these environments, some P.4Hs may be present in the gas phase, but most should be frozen into ice mantles or adsorbed onto dust grains and their spectral features are expected to be seen in absorption. Here we extend our previous work on the infrared spectral properties of the small PAH naphthalene (C10H8) in several media to include the full mid-infrared laboratory spectra of 11 other PAHs and related aromatic species frozen in H2O ices. These include the molecules 1,2-dihydronaphthalene, anthracene, 9,1O-dihydroanthracene, phenanthrene, pyrene, benzo[e]pyrene, perylene, benzo(k)fluoranthene, pentacene, benzo[ghi]perylene, and coronene. These results demonstrate that PAHs and related molecules, as a class, show the same spectral behaviors as naphthalene when incorporated into H2O-rich matrices. When compared to the spectra of these same molecules isolated in inert matrices (e.g., Ar or N2), the absorption bands produced when they are frozen in H2O matrices are broader (factors of 3-10), show small position shifts in either direction (usually < 4/cm, always < 10/cm), and show variable changes in relative band strengths (typically factors of 1-3). There is no evidence of systematic increases or decreases in the absolute strengths of the bands of these molecules when they are incorporated in H2O matrices. In H2O-rich ices, their absorption bands are relatively insensitive to concentration over the range of 10 < H2O/PAH < 200): The absorption bands of these molecules are also insensitive to temperature over the 10 K < T < 125 K range, although the spectra can show dramatic changes as the ices are warmed through the temperature range in which amorphous H2O ice converts to its cubic and hexagonal crystalline forms (T > 125 Kj. Given the small observed band shifts cause by H2O, the current database of spectra from Ar matrix

Optical and spectroscopic study of erbium doped calcium borotellurite glasses

NASA Astrophysics Data System (ADS)

Gomes, J. F.; Lima, A. M. O.; Sandrini, M.; Medina, A. N.; Steimacher, A.; Pedrochi, F.; Barboza, M. J.

2017-04-01

In this study, 10CaF2 - (29.9-0.4x)CaO - (60-0.6x)B2O3 - xTeO2 - 0,1Er2O3 (x = 10, 16, 22, 30 and 50 mol %) glasses were synthesized, and their optical and spectroscopic properties were investigated. X-ray diffraction, density, glass transition temperature (Tg), crystallization temperature (Tx), refraction index, luminescence, radiative lifetime and optical absorption measurements were carried out. Molar volume (Vm), thermal stability (Tx-Tg), electronic polarizability (αm), optical bang gap energy (Eg) and Judd-Ofelt (JO) parameters Ωt (2,4,6) were also calculated. The results are discussed in terms of tellurium oxide content. The increase of TeO2 in the glasses composition increases density, refractive index and electronic polarizability. The optical band gap energy decreases varying from 3.37 to 2.71 eV for the glasses with 10 and 50 mol% of TeO2, respectively. The optical absorption coefficient spectra show characteristic bands of Er3+ ions. Furthermore, these spectra in NIR region show a decrease of hydroxyl groups as a function of TeO2 addition. Luminescence intensity and radiative lifetimes at 1530 nm show an increasing with the TeO2 content. The JO parameters of Er:CaBTeX glasses follow the trend Ω2 > Ω4 > Ω6 and the quality factor values (Ω4/Ω6) were between 1.37 and 3.07. By comparing the measured lifetime with the calculated radiative decay time, quantum efficiency was calculated. The luminescence emission intensity at 1530 nm decreases with the increase of temperature. The lifetime values show a slight trend to decrease with the temperature increase, from 300 to 420 K, for all the samples.

Multi-Photon Absorption Spectra: A Comparison Between Transmittance Change and Fluorescence Methods

DTIC Science & Technology

2015-05-21

AFRL-OSR-VA-TR-2015-0134 multi-photon absorption spectra Cleber Mendonca INSTITUTO DE FISICA DE SAO CARLOS Final Report 05/21/2015 DISTRIBUTION A...5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Instituto de Fisica de Sao Carlos - Universidade de Sao Paulo Av

Enhanced frequency upconversion in Er3+-Yb3+ codoped heavy metal oxides based tellurite glasses.

PubMed

Azam, Mohd; Rai, Vineet Kumar

2018-01-24

The spectroscopic investigations on the Er 3+ /Yb 3+ ions doped/codoped TeO 2 -ZnO (TZ), TeO 2 -ZnO-WO 3 (TZW) and TeO 2 -ZnO-WO 3 -TiO 2 (TZWTi) heavy metal oxide (HMO) glasses have been made. The absorption, photoluminescence, decay curve and Judd-Ofelt analysis have been performed to optimise the optical properties of the Er 3+ /Yb 3+ ions. The effect of incorporation of HMOs like WO 3 and TiO 2 in the Er 3+ /Yb 3+ doped/codoped TZ glass on its optical properties have been investigated. The enhancement in upconversion emission intensity has been explained on the basis of efficient energy transfer and inhomogeneous local field generation around the rare earth ions. The spectroscopic quality factor, absorption and stimulated emission cross-sections, optical gain, quantum efficiency (∼17.53%), energy transfer efficiency (∼61.64%), colour purity (∼94.7%) and ionic nature of the bonding have been determined. The Er 3+ -Yb 3+ -TZWTi glass can be used in visible lasers, yellowish green optical devices and home appliances.

Optical Absorption Spectra of Nuclear Filters Modified by Deposition of Silver Nano- and Microparticles

NASA Astrophysics Data System (ADS)

Smolyanskii, A. S.; Kozlova, N. V.; Zheltova, A. V.; Aksyutina, A. S.; Shvedov, A. S.; Lakeev, S. G.

2015-07-01

Light scattering and interference patterns are studied in the optical absorption spectra of nuclear filters based on polyethylene terephthalate fi lms modifi ed by dry aerosol deposition of silver nano- and microparticles. Surface plasmon polaritons and localized plasmons formed by the passage of light through porous silver films are found to have an effect on the diffraction and interference modes. The thickness of silver nano- and microparticle coatings on the surface of the nuclear fi lters was determined from the shift in the interference patterns in the optical absorption spectra of the modified nuclear filters relative to the original nuclear filters. A correlation was found between the estimated coating thickness and the average surface roughness of the nuclear filters modified by layers of silver nano- and microparticles.

Simulations of absorption spectra of conjugated oligomers: role of planar conformation and aggregation in condensed phase

NASA Astrophysics Data System (ADS)

Yuan, Xiang-Ai; Wen, Jin; Zheng, Dong; Ma, Jing

2018-04-01

This Review highlights the structure/property relationship underlying the morphology modulation through various factors towards the exploration of light-absorbing materials for efficient utilisation of solar power. Theoretical study using a combination of molecular dynamics imulations and the time-dependent density functional theory demonstrated that the planarity plays an important role in tuning spectral properties of oligomer aggregates. The aggregation-induced blue-shift in absorption spectra of oligothiophenes and the red-shift for oligofluorenols were rationalised in a unified way from the reduced (and increased) content of planar conformations in molecular aggregates. The planarity versus non-planarity of oligomers can be modulated by introduction of alkyl side chain or steric bulky substituents. The substitution with various groups in the ortho-position of azobenzene leads to the distorted backbone, breaking symmetry, and hence the red-shift in spectra, expanding the application in biological systems with visible light absorption. The donor-acceptor substituent groups in conjugated oligomers can increase the degree of planarity, electron delocalisation and polarisation, and charge separation, giving rise to the red-shift in spectra and enhancement in polarisability and charge mobility for device applications. The solvent dependent and pH-sensitive properties and intramolecular hydrogen bonds also caused the shift of absorption spectra with the appearance of planar conformers.

Near-edge X-ray absorption spectra for metallic Cu and Mn

NASA Astrophysics Data System (ADS)

Greaves, G. N.; Durham, P. J.; Diakun, G.; Quinn, P.

1981-11-01

The measurement of X-ray absorption fine structure of metals- both in the extended region (EXAFS) as well as in the near edge region (XANES)-has been widely discussed (see refs 1-6 for Cu and refs 7-9 for Mn). The recent availability of intense X-ray fluxes from storage rings has usually been exploited for EXAFS leaving the XANES often with poorer resolution than earlier work performed on conventional sources (for example, compare the near edge structure for copper in ref. 1 with refs 3 or 6). In addition, whilst the theory and analysis of EXAFS is relatively well-established2,10, a theory for the strong scattering regime near to the absorption edge has only recently been developed11. We report here the first high resolution XANES spectra for Cu and Mn which were performed at the SRS storage ring at Daresbury. Although both metals have close-packed structures consisting of atoms of similar size their local atomic structure is different in detail. Significant differences are found in their respective XANES reflecting the senstivity of this region of the X-ray absorption fine structure to the local atomic structure. Spectra for the two metals have been analysed using the new multiple scattering formalism. This is a real space calculation and unlike a conventional band structure approach it does not require structural periodicity but works from the local arrangement of atoms.

Luminescent properties of Tb3+- doped TeO2-WO3-GeO2 glasses for green laser applications

NASA Astrophysics Data System (ADS)

Subrahmanyam, T.; Rama Gopal, K.; Padma Suvarna, R.; Jamalaiah, B. C.; Vijaya Kumar, M. V.

2018-06-01

Different concentrations of Tb3+ -doped oxyfluoro tellurite (TWGTb) glasses were prepared by conventional melt quenching technique and characterized for green laser applications. The Judd-Ofelt theory was applied to evaluate various spectroscopic and radiative parameters. The TWGTb glasses exhibit 5D3 → 7F5-3 and 5D4 → 7F6-0 transitions when excited at 316 nm radiation. The variation of intensity of 5D4 → 7F5 (Green) and 5D3 → 7F4 (Blue) transitions and the green to blue (IG/IB) intensity ratios were studied as a function of Tb3+ ions concentration. The laser characteristic parameters such as effective bandwidth (Δλeff), stimulated emission cross-section (σe), gain bandwidth (σe × Δλeff) and optical gain (σe × τR) were determined using the three phenomenological Judd-Ofelt intensity parameters. The fluorescence decay profiles of 5D4 metastable level exhibit single-exponential nature for all the samples. Based on the experimental results we suggest that the 1.0 mol% of Tb3+ -doped TWGTb glass could be a suitable laser host material to emit intense green luminescence at 545 nm.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fares, Hssen; Férid, Mokhtar; Elhouichet, Habib, E-mail: habib.elhouichet@fst.rnu.tn

Tellurite glasses doped Er³⁺ ions and containing Silver nanoparticles (Ag NPs) are prepared using melt quenching technique. The nucleation and growth of Ag NPs were controlled by a thermal annealing process. The X-ray diffraction pattern shows no sharp peak indicating an amorphous nature of the glasses. The presence of Ag NPs is confirmed from transmission electron microscopy micrograph. Absorption spectra show typical surface plasmon resonance (SPR) band of Ag NPs within the 510–550 nm range in addition to the distinctive absorption peaks of Er³⁺ ions. The Judd-Ofelt (J-O) intensity parameters, oscillator strengths, spontaneous transition probabilities, branching ratios, and radiative lifetimesmore » were successfully calculated based on the experimental absorption spectrum and the J-O theory. It was found that the presence of silver NPs nucleated and grown during the heat annealing process improves both of the photoluminescence (PL) intensity and the PL lifetime relative to the ⁴I 13/2 → ⁴I 15/2 transition. Optimum PL enhancement was obtained after 10 h of heat-treatment. Such enhancements are mainly attributed to the strong local electric field induced by SPR of silver NPs and also to energy transfer from the surface of silver NPs to Er³⁺ ions, whereas the quenching is ascribed to the energy transfer from Er³⁺ ions to silver NPs. Using the Mc Cumber method, absorption cross-section, calculated emission cross-section, and gain cross-section for the ⁴I 13/2 → ⁴I 15/2 transition were determined and compared for the doped and co-doped glasses. The present results indicate that the glass heat-treated for 10 h has good prospect as a gain medium applied for 1.53 μm band broad and high-gain erbium-doped fiber amplifiers.« less

Structural, thermal and optical investigations of Dy3+ ions doped lead containing lithium fluoroborate glasses for simulation of white light

NASA Astrophysics Data System (ADS)

Zulfiqar Ali Ahamed, Sd.; Madhukar Reddy, C.; Deva Prasad Raju, B.

2013-05-01

Lead containing barium zinc lithium fluoroborate (LBZLFB) glasses doped with different concentrations of trivalent dysprosium ions were synthesized by conventional melt quenching method and characterized through the XRD, DSC, FTIR, FT-Raman, optical absorption, photoluminescence and decay curve analysis. X-ray diffraction studies revealed amorphous nature of the studied glass matrices. The thermal behavior has been reported by recording DSC thermograms. Coexistence of trigonal BO3 and tetrahedral BO4 units was evidenced by IR and Raman spectroscopy. Judd-Ofelt intensity parameters have been evaluated for 1.0 mol% Dy3+ ions doped LBZLFB glass. The measuring branching ratios are reasonably high for transitions 4F9/2 → 6H15/2 and 6H13/2 suggesting that the emission at 486 and 577 nm, respectively can give rise to lasing action in the visible region. From the visible emission spectra, the yellow to blue (Y/B) intensity ratios and chromaticity color coordinates were estimated. A combination of blue and yellow emissions has emerged in the glasses, which allows the observation of white light when the glasses are excited by the ultraviolet/blue light. These Dy3+ doped glasses are studied for their utility for white light generation under 454 nm excitation and the present LBZLFB glass is more suitable for generation of white light for blue LED chips.

Spectroscopic properties and energy transfer analysis of Tm3+-doped BaF2-Ga2O3-GeO2-La2O3 glass.

PubMed

Yu, Shenglei; Yang, Zhongmin; Xu, Shanhui

2010-05-01

This paper reports on the spectroscopic properties and energy transfer analysis of Tm(3+)-doped BaF(2)-Ga(2)O(3)-GeO(2)-La(2)O(3) glasses with different Tm(2)O(3) doping concentrations (0.2, 0.5, 2.0, 2.5, 3.0, 3.5, 3.5, 4.0 wt%). Mid-IR fluorescence intensities in the range of 1,300 nm-2,200 nm have been measured when excited under an 808 nm LD for all the samples with the same pump power. Energy level structure and Judd-Ofelt parameters have been calculated based on the absorption spectra of Tm(3+), cross-relaxation rates and multi-phonon relaxation rates have been estimated with different Tm(2)O(3) doping concentrations. The maximum fluorescence intensity at around 1.8 mum has been obtained in Tm(2)O(3)-3 wt% sample and the maximum value of calculated stimulated emission cross-section of Tm(3+) in this sample is about 0.48 x 10(-20) cm(2) at 1,793 nm, and there is not any crystallization peak in the DSC curve of this sample, which indicate the potential utility of Tm(3+)-doped BaF(2)-Ga(2)O(3)-GeO(2)- La(2)O(3) glass for 2.0-microm optical fiber laser.

Sensitizing effect of Ho3+ on the Er3+: 2.7 μm-emission in fluoride glass

NASA Astrophysics Data System (ADS)

Huang, Feifei; Li, Xia; Liu, Xueqiang; Zhang, Junjie; Hu, Lili; Chen, Danping

2014-03-01

The fluorescence properties of 2.7 μm emission and energy transfer mechanism of Ho3+/Er3+ co-doped fluoride glass (ZBYA) have been investigated in the present paper. Ho3+ strengthens the Er3+: 2.7 μm emission in the ZBYA glasses due to the energy transfer from Er3+ to Ho3+, while the 1.5 μm emission decreases dramatically. The optimized concentration ratio of Er3+ to Ho3+ is found to be 1:1 in our glass system. The absorption and emission spectra are tested and the sample possesses large emission cross section (16.5 × 10-21 cm2) around 2.7 μm along with larger radiative transition probability (25.11 S-1) on the basis of Judd-Ofelt and Fuchtbauer-Ladenburg theories. Additionally, the energy transfer microparameters are calculated using Förster-Dexter theory and the result shows the energy transfer coefficient of Er3+:4I13/2 → Ho3+:5I7 is 24 times larger than that of Er3+:4I11/2 → Ho3+:5I6. Our results show that Er3+: 2.7 μm emission can be sensitized by Ho3+ efficiently, and this Er3+/Ho3+-codoped fluoride glasses might have potential application in mid-infrared lasers.

R2O3 (R = La, Y) modified erbium activated germanate glasses for mid-infrared 2.7 μm laser materials

NASA Astrophysics Data System (ADS)

Cai, Muzhi; Zhou, Beier; Wang, Fengchao; Wei, Tao; Tian, Ying; Zhou, Jiajia; Xu, Shiqing; Zhang, Junjie

2015-08-01

Er3+ activated germanate glasses modified by La2O3 and Y2O3 with good thermal stability were prepared. 2.7 μm fluorescence was observed and corresponding radiative properties were investigated. A detailed discussion of J-O parameters has been carried out based on absorption spectra and Judd-Ofelt theory. The peak emission cross sections of La2O3 and Y2O3 modified germanate glass are (14.3 ± 0.10) × 10-21 cm2 and (15.4 ± 0.10) × 10-21 cm2, respectively. Non-radiative relaxation rate constants and energy transfer coefficients of 4I11/2 and 4I13/2 levels have been obtained and discussed to understand the 2.7 μm fluorescence behavior. Moreover, the energy transfer processes of 4I11/2 and 4I13/2 level were quantitatively analyzed according to Dexter’s theory and Inokuti-Hirayama model. The theoretical calculations are in good agreement with the observed 2.7 μm fluorescence phenomena. Results demonstrate that the Y2O3 modified germanate glass, which possesses more excellent spectroscopic properties than La2O3 modified germanate glass, might be an attractive candidate for mid-infrared laser.

Spectroscopic investigations of Nd3+ doped flouro- and chloro-borate glasses.

PubMed

Mohan, Shaweta; Thind, Kulwant Singh; Sharma, Gopi; Gerward, Leif

2008-10-01

Spectroscopic and physical properties of Nd3+ doped sodium lead flouro- and chloro-borate glasses of the type 20NaX-30PbO-49.5B2O3-0.5Nd2O3 (X=F and Cl) have been investigated. Optical absorption spectra have been used to determine the Slater Condon (F2, F4, and F6), spin orbit xi4f and Racah parameters (E1, E2, and E3). The oscillator strengths and the intensity parameters Omega2, Omega4 and Omega6 have been determined by the Judd-Ofelt theory, which in turn provide the radiative transition probability (A), total transition probability (A(T)), radiative lifetime (tauR) and branching ratio (beta) for the fluorescent level 4F3/2. The lasing efficiency of the prepared glasses has been characterized by the spectroscopic quality factor (Omega4/Omega6), the value of which is in the range of 0.2-1.5, typical for Nd3+ in different laser hosts. Nephelauxetic effect results in a red shift in the energy levels of Nd3+ for chloroborate glass. The radiative transition probability of the potential lasing transition 4F3/2-->4I11/2 of Nd3+ ions is found to be higher for flouroborate as compared to chloroborate glass.

Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory

PubMed Central

Novoderezhkin, Vladimir I.; Doust, Alexander B.; Curutchet, Carles; Scholes, Gregory D.; van Grondelle, Rienk

2010-01-01

Abstract We model the spectra and excitation dynamics in the phycobiliprotein antenna complex PE545 isolated from the unicellular photosynthetic cryptophyte algae Rhodomonas CS24. The excitonic couplings between the eight bilins are calculated using the CIS/6-31G method. The site energies are extracted from a simultaneous fit of the absorption, circular dichroism, fluorescence, and excitation anisotropy spectra together with the transient absorption kinetics using the modified Redfield approach. Quantitative fit of the data enables us to assign the eight exciton components of the spectra and build up the energy transfer picture including pathways and timescales of energy relaxation, thus allowing a visualization of excitation dynamics within the complex. PMID:20643051

Structural and photoluminescence properties of stannate based displaced pyrochlore-type red phosphors: Ca(3-x)Sn₃Nb₂O₁₄:xEu³⁺.

PubMed

Sreena, T S; Prabhakar Rao, P; Francis, T Linda; Raj, Athira K V; Babu, Parvathi S

2015-05-14

New stannate based displaced pyrochlore-type red phosphors, Ca(3-x)Sn3Nb2O14:xEu(3+), were prepared via a conventional solid state method. The influence of partial occupancy of Sn in both A and B sites of the pyrochlore-type oxides on the photoluminescence properties was studied using powder X-ray diffraction, FT-Raman, transmission electron microscopy, scanning electron microscopy with energy dispersive spectrometry, UV-visible absorption spectroscopy, and photoluminescence excitation and emission spectra with lifetime measurements. The structural analysis establishes that these oxides belong to a cubic displaced pyrochlore type structure with a space group Fd3̄m. These phosphors exhibit strong absorptions at near UV and blue wavelength regions and emit intense multiband emissions due to Eu(3+ 5)D0-(7)F(0, 1, 2) transitions. The absence of characteristic MD transition splitting points out that local cation disorder exists in this type of displaced pyrochlores, reducing the D(3d) inversion symmetry, which is not evidenced by such disorder in the X-ray diffraction analysis. The unusual forbidden intense sharp (5)D0-(7)F0 transition indicates single site occupancy of Eu(3+) with a narrower range of bonding environment, preventing the cluster formation. This is supported by the stable (5)D0 lifetime with Eu(3+) concentration. The Judd-Ofelt intensity parameter assessment corroborates these results. The CIE color coordinates of these phosphors were found to be (0.60, 0.40), which are close to the NTSC standard values (0.67, 0.33) for a potential red phosphor.

Optical spectroscopy of Sm(3+) doped Na2O-ZnO-La2O3-TeO2 glasses.

PubMed

Sobczyk, Marcin

2015-10-05

Telluride glasses with the composition xSm2O3-(7-x)La2O3-3Na2O-25ZnO-65TeO2 (where x=0.1, 1, 2, 5 and 7 mol%) were obtained by the melt quenching technique. Electronic absorption and fluorescence spectra as well as fluorescence dynamics of the Sm(3+)-doped title glasses are presented and analysed in detail. A Judd-Ofelt intensity analysis of the absorption spectrum at 300 K has been applied for determination of Ωλ parameters (Ω2=3.10, Ω4=3.80, Ω6=1.61×10(-20) cm(2)) which in turn have been used for calculations of the radiative transition probabilities (AT), the natural (radiative) lifetimes (τR) of the (4)G5/2 level of Sm(3+), the fluorescence branching ratios (β) and the emission cross-sections (σem). The τR value of the (4)G5/2 level amount to 1546 μs and is slightly higher than the measured decay time of 1306 μs. With the increasing of Sm2O3 concentration from 0.1 to 7.0 mol% the experimental lifetime of the fluorescent level decreases from 1306 to 41 μs. An analysis of the non-radiative decay was based on the cross-relaxation mechanisms. The optical achieved results indicate that the investigated glasses are potentially applicable as an orange and/or red laser host. Copyright © 2015 Elsevier B.V. All rights reserved.

Spectroscopic analysis and efficient diode-pumped 2.0 μm emission in Ho3+/Tm3+ codoped fluoride glass

NASA Astrophysics Data System (ADS)

Tian, Ying; Jing, Xufeng; Xu, Shiqing

2013-11-01

Intense 2.0 μm emission has been obtained in Ho3+/Tm3+ codoped ZBLAY glass pumped by common laser diode. Three intensity parameters and radiative properties have been determined from the absorption spectrum based on the Judd-Ofelt theory. The 2 μm emission characteristics and the energy transfer mechanism upon excitation of a conventional 800 nm laser diode are investigated. Efficient Tm3+ to Ho3+ energy transfer processes have been observed in present glass and investigated using steady-state and time-resolved optical spectroscopy measurement. The energy transfer microscopic parameter has been calculated with the Inokuti-Hirayama and Förster-Dexter models. High quantum efficiency of 2 μm emission (80.35%) and large energy transfer coefficient from Tm3+ to Ho3+ indicates this Ho3+/Tm3+ codoped ZBLAY glass is a promising material for 2.0 μm laser.

Equilibrium Structures and Absorption Spectra for SixOy-nH2O Molecular Clusters using Density Functional Theory

DTIC Science & Technology

2017-05-04

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--17-9723 Equilibrium Structures and Absorption Spectra for SixOy-nH2O Molecular...Absorption Spectra for SixOy-nH2O Molecular Clusters using Density Functional Theory L. Huang, S.G. Lambrakos, and L. Massa1 Naval Research Laboratory, Code...and time-dependent density functional theory (TD-DFT). The size of the clusters considered is relatively large compared to those considered in

Polarized electronic absorption spectra of Cr2SiO4 single crystals

NASA Astrophysics Data System (ADS)

Furche, A.; Langer, K.

Polarized electronic absorption spectra, E∥a(∥X), E∥b(∥Y) and E∥c(∥Z), in the energy range 3000-5000 cm-1 were obtained for the orthorhombic thenardite-type phase Cr2SiO4, unique in its Cr2+-allocation suggesting some metal-metal bonding in Cr2+Cr2+ pairs with Cr-Cr distance 2.75 Å along [001]. The spectra were scanned at 273 and 120 K on single crystal platelets ∥(100), containing optical Y and Z, and ∥(010), containing optical X and Z, with thicknesses 12.3 and 15.6 μm, respectively. Microscope-spectrometric techniques with a spatial resolution of 20 μm and 1 nm spectral resolution were used. The orientations were obtained by means of X-ray precession photographs. The xenomorphic, strongly pleochroic crystal fragments (X deeply greenish-blue, Y faint blue almost colourless, Z deeply purple almost opaque) were extracted from polycrystalline Cr2SiO4, synthesized at 35 kbar, above 1440 °C from high purity Cr2O3, Cr (10% excess) and SiO2 in chromium capsules. The Cr2SiO4-phase was identified by X-ray diffraction (XRD). Four strongly polarized bands, at about 13500 (I), 15700 (II), 18700 (III) and 19700 (IV) cm-1, in the absorption spectra of Cr2SiO4 single crystals show properties (temperature behaviour of linear and integral absorption coefficients, polarization behaviour, molar absorptivities) which are compatible with an assignment to localized spin-allowed transitions of Cr2+ in a distorted square planar coordination of point symmetry C2. The crystal field parameter of Cr2+ is estimated to be 10 Dq =10700 cm-1. A relatively intense, sharp band at 18400 cm-1 and three other minor features can, from their small half widths, be assigned to spin-forbidden dd-transitions of Cr2+. The intensity of such bands strongly decreases on decreasing temperature. The large half widths, near 5000 cm-1 of band III are indicative of some Cr-Cr interactions, i.e. δ-δ* transitions of Cr24+, whereas the latter alone would be in conflict with the strong

Simultaneous measurement of displacement current and absorption spectra of Langmuir film

NASA Astrophysics Data System (ADS)

Xu, Xiaobin; Kubota, Tohru; Iwamoto, Mitsumasa

1995-07-01

A Maxwell-displacement-current measuring system coupled with the system used for the measurement of absorption spectra of monolayers on a water surface has been developed. Using this system, the displacement current and the absorbance across monolayers of squarylium dye at the air/water surface were detected. It was found that the change in J aggregate in the monolayers with monolayer compression was detectable using the system.

Infrared band absorptance correlations and applications to nongray radiation. [mathematical models of absorption spectra for nongray atmospheres in order to study air pollution

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Manian, S. V. S.

1976-01-01

Various mathematical models for infrared radiation absorption spectra for atmospheric gases are reviewed, and continuous correlations for the total absorptance of a wide band are presented. Different band absorptance correlations were employed in two physically realistic problems (radiative transfer in gases with internal heat source, and heat transfer in laminar flow of absorbing-emitting gases between parallel plates) to study their influence on final radiative transfer results. This information will be applied to the study of atmospheric pollutants by infrared radiation measurement.

Effect of solvent on absorption spectra of all-trans-{beta}-carotene under high pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, W. L.; Zheng, Z. R.; Liu, Z. G.

The absorption spectra of all-trans-{beta}-carotene in n-hexane and carbon disulfide (CS{sub 2}) solutions are measured under high pressure at ambient temperature. The common redshift and broadening in the spectra are observed. Simulation of the absorption spectra was performed by using the time-domain formula of the stochastic model. The pressure dependence of the 0-0 band wavenumber is in agreement with the Bayliss theory at pressure higher than 0.2 GPa. The deviation of the linearity at lower pressure is ascribed to the reorientation of the solvent molecules. Both the redshift and broadening are stronger in CS{sub 2} than that in n-hexane becausemore » of the more sensitive pressure dependence of dispersive interactions in CS{sub 2} solution. The effect of pressure on the transition moment is explained with the aid of a simple model involving the relative dimension, location, and orientation of the solute and solvent molecules. The implication of these results for light-harvesting functions of carotenoids in photosynthesis is also discussed.« less

Optical absorption and scattering spectra of pathological stomach tissues

NASA Astrophysics Data System (ADS)

Giraev, K. M.; Ashurbekov, N. A.; Lakhina, M. A.

2011-03-01

Diffuse reflection spectra of biotissues in vivo and transmission and reflection coefficients for biotissues in vitro are measured over 300-800 nm. These data are used to determine the spectral absorption and scattering indices and the scattering anisotropy factor for stomach mucous membranes under normal and various pathological conditions (chronic atrophic and ulcerous defects, malignant neoplasms). The most importan tphysiological (hemodynamic and oxygenation levels) and structural-morphological (scatterer size and density) parameters are also determined. The results of a morphofunctional study correlate well with the optical properties and are consistent with data from a histomorphological analysis of the corresponding tissues.

Detection of absorption lines in the spectra of X-ray bursts from X1608-52

NASA Astrophysics Data System (ADS)

Nakamura, Norio; Inoue, Hajime; Tanaka, Yasuo

X-ray bursts from X 1608-52 were observed with the gas scintillation proportional counters on the Tenma satellite. Absorption features were detected in the spectra of three bursts among 17 bursts observed. These absorption features are consistent with a common absorption line at 4.1 keV. The energy and the properties of the absorption lines of the X 1608-52 bursts are very similar to those observed from the X 1636-53 bursts by Waki et al. (1984). Near equality of the absorption-line energies for X 1636-53 and X 1608-52 would imply that mass and radius of the neutron stars in these two systems are very similar to each other.

Numerical indicators of absorption spectra of green leaf extract obtained from plants of different life forms.

PubMed

Koldaev, Vladimir M; Manyakhin, Artem Yu

2018-06-05

The study was carried out using 58 species of terrestrial plants of different life forms at the start of their fruiting stage. Photoreceptive systems of the leaves were assessed by means of unconventional numerical indicators of absorption spectra, relative photoabsorption coefficient, photosynthetic pigments' integral absorption intensity and relative absorption intensity coefficient. As the study showed, the leaves of all trees and light-demanding grasses favoring open spaces, which were subjected to the study were featured by the lowest values of numerical indicators of absorption spectra (NIAS). Shade-demanding grasses, which grow beneath the canopy, by contrast, were featured by the highest NIAS values. These values of the shrub leaves were in between those of light-demanding plants and shade-demanding ones. The results obtained are consistent with modern visions concerning the biochemistry and the physiology of plants' photoreceptive system. It is appropriate to apply the NIAS, which were used in this study and reflect a leaf's photoreceptive properties, as spectrophotometric criteria for monitoring and environmental management of natural plant resources and agricultural plants. Copyright © 2018 Elsevier B.V. All rights reserved.

Absorption spectra analysis of hydrated uranium(III) complex chlorides

NASA Astrophysics Data System (ADS)

Karbowiak, M.; Gajek, Z.; Drożdżyński, J.

2000-11-01

Absorption spectra of powdered samples of hydrated uranium(III) complex chlorides of the formulas NH 4UCl 4 · 4H 2O and CsUCl 4 · 3H 2O have been recorded at 4.2 K in the 4000-26 000 cm -1 range. The analysis of the spectra enabled the determination of crystal-field parameters and assignment of 83 and 77 crystal-field levels for the tetrahydrate and trihydrate, respectively. The energies of the levels were computed by applying a simplified angular overlap model as well as a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions. Ab initio calculations have enabled the application of a simplified parameterization and the determination of the starting values of the AOM parameters. The received results have proved that the AOM approach can quite well predict both the structure of the ground multiplet and the positions of the crystal-field levels in the 17 000-25 000 cm -1 range, usually obscured by strong f-d bands.

Influence of temperature on water and aqueous glucose absorption spectra in the near- and mid-infrared regions at physiologically relevant temperatures.

PubMed

Jensen, Peter Snoer; Bak, Jimmy; Andersson-Engels, Stefan

2003-01-01

Near- and mid-infrared absorption spectra of pure water and aqueous 1.0 g/dL glucose solutions in the wavenumber range 8000-950 cm-1 were measured in the temperature range 30-42 degrees C in steps of 2 degrees C. Measurements were carried out with an FT-IR spectrometer and a variable pathlength transmission cell controlled within 0.02 degree C. Pathlengths of 50 microns and 0.4 mm were used in the mid- and near-infrared spectral region, respectively. Difference spectra were used to determine the effect of temperature on the water spectra quantitatively. These spectra were obtained by subtracting the 37 degrees C water spectrum from the spectra measured at other temperatures. The difference spectra reveal that the effect of temperature is highest in the vicinity of the strong absorption bands, with a number of isosbestic points with no temperature dependence and relatively flat plateaus in between. On the basis of these spectra, prospects for and limitations on data analysis for infrared diagnostic methods are discussed. As an example, the absorptive properties of glucose were studied in the same temperature range in order to determine the effect of temperature on the spectral shape of glucose. The change in water absorption associated with the addition of glucose has also been studied. An estimate of these effects is given and is related to the expected level of infrared signals from glucose in humans.

Quantitative comparison of the absorption spectra of the gas mixtures in analogy to the criterion of Pearson

NASA Astrophysics Data System (ADS)

Kistenev, Yu. V.; Kuzmin, D. A.; Sandykova, E. A.; Shapovalov, A. V.

2015-11-01

An approach to the reduction of the space of the absorption spectra, based on the original criterion for profile analysis of the spectra, was proposed. This criterion dates back to the known statistics chi-square test of Pearson. Introduced criterion allows to quantify the differences of spectral curves.

Measurements of trace constituents from atmospheric infrared emission and absorption spectra, a feasibility study

NASA Technical Reports Server (NTRS)

Goldman, A.; Williams, W. J.; Murcray, D. G.

1974-01-01

The feasibility of detecting eight trace constituents (CH4, HCl, HF, HNO3, NH3, NO, NO2 and SO2) against the rest of the atmospheric background at various altitudes from infrared emission and absorption atmospheric spectra was studied. Line-by-line calculations and observational data were used to establish features that can be observed in the atmospheric spectrum due to each trace constituent. Model calculations were made for experimental conditions which approximately represent state of the art emission and absorption spectrometers.

Optical property investigations of polystyrene capped Ca{sub 2}P{sub 2}O{sub 7}:Dy{sup 3+} persistent phosphor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jain, Abhilasha, E-mail: abhilasha.vnit@gmail.com; Kumar, Ashwini; Dhoble, S.J

2015-10-15

Highlights: • Synthesis of polymer capped pyrophosphate phosphors by citrate gel method. • Radiative lifetime is calculated from parameters of Judd-Ofelt theory and ICP-AES. • Reaction mechanism is discussed leading to high photoluminescence efficiency. • PL emission spectrum reveals broad band emission suitable for solid state lighting. - Abstract: By virtue of enhanced photosensivity, good optical response and better thermal stability, organic–inorganic hybrid materials are contemplated as one of the alternatives for designing advanced optoelectronic devices and innovative photonic applications. A novel inorganic organic hybrid Ca{sub 2}P{sub 2}O{sub 7}:Dy{sup 3+} phosphor has been fabricated by Pechini method. The optical propertymore » of synthesized phosphor is successfully altered by the in corporation of polystyrene sulfonic acid as capping agent in the colloidal solution. The phase purity and the average particle size of the prepared phosphor were calculated from X-ray diffraction (XRD) employing Debye Scherrer method. The morphological and chemical investigations were carried out through scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) analysis. The radiative transitions are explained on the basis of Judd-Ofelt theory and on the basis of derived parameters, the radiative lifetime of persistent hybrid Ca{sub 2}P{sub 2}O{sub 7}:Dy{sup 3+} phosphor is calculated as 5.33 ms. This paper explores the mechanism leading to high photoluminescence efficiency using organic capping additives. The photoluminescence (PL) graphs reveal broad band emission at 482 nm (blue) and 573 nm (yellow) corresponding to {sup 4}F{sub 9/2}-{sup 6}H{sub 15/2} and {sup 4}F{sub 9/2}-{sup 6}H{sub 13/2} transitions of Dy{sup 3+}, respectively. The Commission International De I-Eclairage (CIE) chromaticity co-ordinates were calculated from emission spectra and the values (x, y) were approaching to standard value of white emission. The synthesized

Emission from water vapor and absorption from other gases at 5-7.5 μm in Spitzer-IRS Spectra Of Protoplanetary Disks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sargent, B. A.; Forrest, W.; Watson, Dan M.

We present spectra of 13 T Tauri stars in the Taurus-Auriga star-forming region showing emission in Spitzer Space Telescope Infrared Spectrograph 5-7.5 μm spectra from water vapor and absorption from other gases in these stars' protoplanetary disks. Seven stars' spectra show an emission feature at 6.6 μm due to the ν{sub 2} = 1-0 bending mode of water vapor, with the shape of the spectrum suggesting water vapor temperatures >500 K, though some of these spectra also show indications of an absorption band, likely from another molecule. This water vapor emission contrasts with the absorption from warm water vapor seenmore » in the spectrum of the FU Orionis star V1057 Cyg. The other 6 of the 13 stars have spectra showing a strong absorption band, peaking in strength at 5.6-5.7 μm, which for some is consistent with gaseous formaldehyde (H{sub 2}CO) and for others is consistent with gaseous formic acid (HCOOH). There are indications that some of these six stars may also have weak water vapor emission. Modeling of these stars' spectra suggests these gases are present in the inner few AU of their host disks, consistent with recent studies of infrared spectra showing gas in protoplanetary disks.« less

Far-ultraviolet absorption spectra of quasars: How to find missing hot gas and metals

NASA Technical Reports Server (NTRS)

Verner, D. A.; Tytler, David; Barthel, P. D.

1994-01-01

We show that some high-redshift QSO absorption systems that reveal only the H I Lyman series lines at wavelengths visible from the ground maybe a new class of ultra-high-ionization metal line systems, with metal lines in the far-UV region which is now being explored with satellites. At high temperatures or in intense radiation fields metal systems will not show the usual C IV absorption, and O VI will become the most prominent metal absorber. At still higher ionization, O IV also becomes weak and the strongest metal lines are from Ne VIII, Mg X and Si XII, which have doublets in the rangs 500-800 A. Hence very high ionization metal systems will not show metal lines in existing spectra. Recent X-ray observations show that galaxy halos contain hot gas, so we predict that far-UV spectra of QSOs will also show this gas.

Kα X-Ray Emission Spectra and K X-Ray Absorption-Edge Structures of Fluorine in 3d Transition-Metal Difluorides

NASA Astrophysics Data System (ADS)

Sugiura, Chikara

1991-08-01

The fluorine Kα emission spectra in fluorescence from a series of 3d transition-metal difluorides MF2 (M=Mn, Fe, Co, Ni, Cu and Zn) have been measured with a high-resolution two-crystal vacuum spectrometer. It is shown that the observed FWHM of the Kα1,2 emission band is closely related to the difference in the electronegativity between the metal and fluorine atoms. The measured emission spectra are presented along with the UPS or XPS spectra of the valence bands and the fluorine K absorption spectra of the metal difluorides, reported previously. The structures at the fluorine K absorption edges are interpreted in terms of a molecular orbital (MO) model.

Ultraviolet absorption spectra of shock-heated carbon dioxide and water between 900 and 3050 K

NASA Astrophysics Data System (ADS)

Schulz, C.; Koch, J. D.; Davidson, D. F.; Jeffries, J. B.; Hanson, R. K.

2002-03-01

Spectrally resolved UV absorption cross-sections between 190 and 320 nm were measured in shock-heated CO 2 between 880 and 3050 K and H 2O between 1230 and 2860 K. Absorption spectra were acquired with 10 μs time resolution using a unique kinetic spectrograph, thereby enabling comparisons with time-dependent chemical kinetic modeling of post-shock thermal decomposition and chemical reactions. Although room temperature CO 2 is transparent (σ<10 -22 cm2) at wavelengths longer than 200 nm, hot CO 2 has significant absorption (σ>10 -20 cm2) extending to wavelengths longer than 300 nm. The temperature dependence of CO 2 absorption strongly suggests sharply increased transition probabilities from excited vibrational levels.

Gamma-radiation effects on luminescence properties of Eu3+ activated LaPO4 phosphor

NASA Astrophysics Data System (ADS)

Vujčić, Ivica; Gavrilović, Tamara; Sekulić, Milica; Mašić, Slobodan; Putić, Slaviša; Papan, Jelena; Dramićanin, Miroslav D.

2018-05-01

Eu3+ activated LaPO4 phosphors were prepared by a high-temperature solid-state method and irradiated to different high-doses gamma-radiation in the 0-4 MGy range. No effects of high-doses of high-energy radiation on phosphor's morphology and structure were observed, as documented by electron microscopy and X-ray diffraction measurements. On the other hand, photoluminescence measurements showed that emission properties of phosphor were affected by gamma-radiation; changes in radiative properties being prominent for absorbed radiation doses up to 250 kGy after which no additional changes are observed. Judd-Ofelt analysis of emission spectra is performed to thoroughly investigate radiative properties of phosphors. Analysis showed that radiative transition probability of Eu3+ emission decreases while non-radiative probability increases upon gamma-irradiation. Quantum efficiency of emission is decreased from about 46% to 35% when Eu3+ doped LaPO4 powders are exposed to gamma-radiation of 250 kGy dose, showing no additional decrease for higher gamma-radiation doses.

Fluorescence investigation of Ho3+ in Yb3+ sensitized mixed-alkali bismuth gallate glasses.

PubMed

Lin, H; Zhang, Y Y; Pun, E Y B

2008-12-15

Efficient 2.0 microm infrared and visible upconversion emissions have been observed in Ho3+/Yb3+ co-doped mixed-alkali bismuth gallate (LKBBG) glasses having a maximum-phonon energy of 673 cm(-1). The Judd-Ofelt parameters Omega2, Omega4 and Omega6 of Ho3+ indicate that there is a high asymmetry and strong covalent environment in LKBBG glasses. The large absorption and emission cross-sections of Yb3+ confirm that it is a suitable sensitizer for capturing and transferring pump energy to Ho3+. The emission cross-section profile for the 5I7-->5I8 transition is derived using the reciprocity method and the peak value is 5.54 x 10(-21)cm2, which is much larger than the value in fluorozircoaluminate glasses. LKBBG glasses exhibit low maximum-phonon energy and large refractive index, and it is possible to achieve an effective 1.66 microm U-band emission of Ho3+ under 900 nm laser radiation.

Theoretical and experimental studies of electronic, optical and luminescent properties for Tb-based garnet materials

NASA Astrophysics Data System (ADS)

Ding, Shoujun; Zhang, Haotian; Dou, Renqin; Liu, Wenpeng; Sun, Dunlu; Zhang, Qingli

2018-07-01

Terbium-aluminum (Tb3Al5O12: TAG) as well as Terbium-scandium-aluminum (Tb3Sc2Al3O12: TSAG) garnet materials have attracted tremendous attention around the world owing to their multifunctional applications. However, the electronic structure, optical and luminescent properties for TAG and TSAG are still requiring elucidation. To solve these intriguing problems, firstly, a systematic theoretical calculation based on the density functional theory methods were carried out on them and their electronic structure and optical properties were obtained. The calculated results indicating that both TAG and TSAG belongs to direct band gap materials category with band gap of 4.46 and 4.05 eV, respectively. Secondly, we compared the calculated results with the experimental results (including band gap, refractive index and reflectivity) and found that they were in good coincident. Lastly, we investigated the luminescence properties of TSAG and evaluated its probability for using as visible phosphor and laser matrix. In addition, a Judd-Ofelt theory calculation was performed on TSAG to reveal the radioactive transition of Tb-4f configuration and the three Judd-Ofelt intense parameters were obtained to be 4.47, 1.37 and 4.23 × 10-20 cm2, respectively. All of the obtained results can provide an essential understanding of TAG and TSAG garnet materials and also useful for the further exploration of them.

TD-M06-2X insights into the absorption and emission spectra of dichlorvos and its molecularly imprinted recognition by methacrylic acid.

PubMed

Cheng, Xueli

2016-11-01

The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in methanol, water, and chloroform in the molecularly imprinted recognition were investigated systematically. The M06-2X results revealed that: 1) the hydroxyl groups in polar solvents such as methanol and water may markedly influence the weak interactions, and then alter the adsorption and emission spectra; 2) the electronic excitation in absorption spectra of dichlorvos is dominated by the configuration HOMO → LUMO, but in the most stable dichlorvos-MAA it becomes the ππ* excitation of HOMO → LUMO + 1; 3) Mulliken charges reveal that dichlorvos almost dissociates to Cl - and a cation in its S 1 excitation state; 4) the phosphorescence spectra of dichlorvos-MAA are relatively weak. Graphical Abstract The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in the molecularly imprinted recognition of dichlorvos were investigated systematically in methanol, water, and chloroform as solvents.

Theoretical infrared and electronic absorption spectra of C16H10 isomers, their ions and doubly ions

NASA Astrophysics Data System (ADS)

Naganathappa, Mahadevappa; Chaudhari, Ajay

2012-09-01

Polycyclic aromatic hydrocarbons (PAHs) or PAH-related molecules are considered to be responsible for the unidentified infrared (UIR) emission features at 3.3, 6.2, 7.7, 8.6 and 11.2 μm. However, the exact identification of PAH or PAH-related molecules is difficult. There have been several investigations on the spectroscopic characterization of PAH molecules. But none of them compared the spectra of isomers of PAHs, which might have help in the identification of the UIR emission features. This work presents the infrared and electronic absorption spectra of isomers of C16H10. The aim of the present work is to compare infrared and electronic absorption spectra of four isomers of C16H10 PAH viz. pyrene, aceanthrylene, acephenanthrylene and fluoranthene, their ions and doubly ions. We also compare the spectra of pyrene in the gas-phase and in H2O ice. We have used the density functional theory with B3LYP exchange and correlation functional and 6-311++g** basis set to study the infrared spectra. The time-dependent density functional theory (TDDFT) has been used to obtain the electronic absorption spectra. Significant difference in the CC stretching, CH in-plane bending and CH out-of-plane bending vibration modes is observed for the isomers of C16H10 whereas there is no large difference in the CH stretching vibration band. A significant change in the vibrational band is observed for pyrene in H2O ice compared to gas-phase pyrene. Though isomers of C16H10 PAH have the same number of carbon and hydrogen atoms, their spectroscopic characteristics are different. This study should help in identifying the isomers of C16H10, their ions and doubly cation in the interstellar medium.

Theoretical calculations on the electron absorption spectra of selected Polycyclic Aromatic Hydrocarbons (PAH) and derivatives

NASA Technical Reports Server (NTRS)

Du, Ping

1993-01-01

As a theoretical component of the joint effort with the laboratory of Dr. Lou Allamandola to search for potential candidates for interstellar organic carbon compound that are responsible for the visible diffuse interstellar absorption bands (DIB's), quantum mechanical calculations were performed on the electron absorption spectra of selected polycyclic aromatic hydrocarbons (PAH) and derivatives. In the completed project, 15 different species of naphthalene, its hydrogen abstraction and addition derivatives, and corresponding cations and anions were studied. Using semiempirical quantum mechanical method INDO/S, the ground electronic state of each species was evaluated with restricted Hartree-Fock scheme and limited configuration interaction. The lowest energy spin state for each species was used for electron absorption calculations. Results indicate that these calculations are accurate enough to reproduce the spectra of naphthalene cation and anion observed in neon matrix. The spectral pattern of the hydrogen abstraction and addition derivatives predicted based on these results indicate that the electron configuration of the pi orbitals of these species is the dominant determinant. A combined list of 19 absorptions calculated from 4500 A to 10,400 A were compiled and suggested as potential candidates that are relevant for the DIB's absorptions. Continued studies on pyrene and derivatives revealed the ground state symmetries and multiplicities of its neutral, anionic, and cationic species. Spectral calculations show that the cation (B(sub 3g)-2) and the anion (A(sub u)-2) are more likely to have low energy absorptions in the regions between 10 kK and 20 kK, similar to naphthalene. These absorptions, together with those to be determined from the hydrogen abstraction and addition derivatives of pyrene, can be used to provide additional candidates and suggest experimental work in the search for interstellar compounds that are responsible for DIB's.

Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. III. Exact stochastic path integral evaluation.

PubMed

Moix, Jeremy M; Ma, Jian; Cao, Jianshu

2015-03-07

A numerically exact path integral treatment of the absorption and emission spectra of open quantum systems is presented that requires only the straightforward solution of a stochastic differential equation. The approach converges rapidly enabling the calculation of spectra of large excitonic systems across the complete range of system parameters and for arbitrary bath spectral densities. With the numerically exact absorption and emission operators, one can also immediately compute energy transfer rates using the multi-chromophoric Förster resonant energy transfer formalism. Benchmark calculations on the emission spectra of two level systems are presented demonstrating the efficacy of the stochastic approach. This is followed by calculations of the energy transfer rates between two weakly coupled dimer systems as a function of temperature and system-bath coupling strength. It is shown that the recently developed hybrid cumulant expansion (see Paper II) is the only perturbative method capable of generating uniformly reliable energy transfer rates and emission spectra across a broad range of system parameters.

Substitution effects on the absorption spectra of nitrophenolate isomers.

PubMed

Wanko, Marius; Houmøller, Jørgen; Støchkel, Kristian; Suhr Kirketerp, Maj-Britt; Petersen, Michael Åxman; Nielsen, Mogens Brøndsted; Nielsen, Steen Brøndsted; Rubio, Angel

2012-10-05

Charge-transfer excitations highly depend on the electronic coupling between the donor and acceptor groups. Nitrophenolates are simple examples of charge-transfer systems where the degree of coupling differs between ortho, meta and para isomers. Here we report the absorption spectra of the isolated anions in vacuo to avoid the complications of solvent effects. Gas-phase action spectroscopy was done with two different setups, an electrostatic ion storage ring and an accelerator mass spectrometer. The results are interpreted on the basis of CC2 quantum chemical calculations. We identified absorption maxima at 393, 532, and 399 nm for the para, meta, and ortho isomer, respectively, with the charge-transfer transition into the lowest excited singlet state. In the meta isomer, this π-π* transition is strongly redshifted and its oscillator strength reduced, which is related to the pronounced charge-transfer character, as a consequence of the topology of the conjugated π-system. Each isomer's different charge distribution in the ground state leads to a very different solvent shift, which in acetonitrile is bathochromic for the para and ortho, but hypsochromic for the meta isomer.

First principles absorption spectra of Cu{sub n} (n = 2 - 20) clusters.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baishya, K.; Idrobo, J. C.; Ogut, S.

2011-06-17

Optical absorption spectra for the computed ground state structures of copper clusters (Cu{sub n}, n = 2-20) are investigated from first principles using time-dependent density functional theory in the adiabatic local density approximation (TDLDA). The results are compared with available experimental data, existing calculations, and with results from our previous computations on silver and gold clusters. The main effects of d electrons on the absorption spectra, quenching the oscillator strengths, and getting directly involved in low-energy excitations increase in going from Ag{sub n} to Au{sub n} to Cu{sub n} due to the increase in the hybridization of the occupied, yetmore » shallow, d orbitals and the partially occupied s orbitals. We predict that while Cu nanoparticles of spherical or moderately ellipsoidal shape do not exhibit Mie (surface plasmon) resonances, unlike the case for Ag and Au, extremely prolate or oblate Cu nanoparticles with eccentricities near unity should give rise to Mie resonances in the lower end of the visible range and in the infrared. This tunable resonance predicted by the classical Mie-Gans theory is reproduced with remarkable accuracy by our TDLDA computations on hypothetical Cu clusters in the form of zigzag chains with as few as 6 to 20 atoms.« less

Structural and luminescence properties of samarium doped lead alumino borate glasses

NASA Astrophysics Data System (ADS)

Mohan, Shaweta; Kaur, Simranpreet; Singh, D. P.; Kaur, Puneet

2017-11-01

The study reports the effect of samarium concentration on the physical, structural and spectroscopic characteristics of samarium doped lead alumino borate glasses having composition 20PbO-(10-x)Al2O3-70B2O3-xSm2O3; x = 0.1, 0.5, 1.0 and 2.0 mol %. The glasses were fabricated by conventional melt-quenching technique and then characterized by XRD, FTIR, optical absorption and fluorescence spectra. X-ray diffraction studies confirmed the amorphous nature of the prepared glasses. FTIR spectra indicate the presence of BO3, BO4, AlO6 and a few other structural groups. Various physical properties such as density, molar volume, refractive index, rare earth ion concentration, boron-boron distance and polarizability etc. were determined using conventional methods and standard formulae. The Judd-Ofelt theory was applied on the optical absorption spectra of the glasses to evaluate the three phenomenological intensity parameters Ω2, Ω4 and Ω6. The value of Ω2 was found to be highest for glass with 1 mol% Sm2O3 and attributed to the asymmetry of the ligand field at the rare earth ion site and the rare earth oxygen (Sm-O) covalency. The calculated intensity parameters and fluorescence spectra were further used to predict the radiative transition probability (A), radiative lifetime (τR), branching ratio (βR), peak wavelength (λp), effective line widths (Δλeff) and stimulated emission cross-section (σ) for the characteristic 4G5/2 → 6H5/2, 6H7/2 and 6H9/2 transitions of the Sm3+ ion. Concentration quenching was observed for 2 mol% concentration of Sm2O3 and ascribed to energy transfer through various cross-relaxation channels between Sm3+ ions. Reasonably high values of branching ratios and stimulated emission cross-section for the prepared glasses points towards their utility in the development of visible lasers emitting in the reddish-orange spectral region. However, the glass with 1 mol% Sm2O3 was found to show better radiative properties.

Optical and luminescence properties of Dy3+ ions in phosphate based glasses

NASA Astrophysics Data System (ADS)

Rasool, Sk. Nayab; Rama Moorthy, L.; Jayasankar, C. K.

2013-08-01

Phosphate glasses with compositions of 44P2O5 + 17K2O + 9Al2O3 + (30 - x)CaF2 + xDy2O3 (x = 0.05, 0.1, 0.5, 1.0, 2.0, 3.0 and 4.0 mol %) were prepared and characterized by X-ray diffraction (XRD), differential thermal analysis (DTA), Fourier transform infrared (FTIR), optical absorption, emission and decay measurements. The observed absorption bands were analyzed by using the free-ion Hamiltonian (HFI) model. The Judd-Ofelt (JO) analysis has been performed and the intensity parameters (Ωλ, λ = 2, 4, 6) were evaluated in order to predict the radiative properties of the excited states. From the emission spectra, the effective band widths (Δλeff), stimulated emission cross-sections (σ(λp)), yellow to blue (Y/B) intensity ratios and chromaticity color coordinates (x, y) have been determined. The fluorescence decays from the 4F9/2 level of Dy3+ ions were measured by monitoring the intense 4F9/2 → 6H15/2 transition (486 nm). The experimental lifetimes (τexp) are found to decrease with the increase of Dy3+ ions concentration due to the quenching process. The decay curves are perfectly single exponential at lower concentrations and gradually changes to non-exponential for higher concentrations. The non-exponential decay curves are well fitted to the Inokuti-Hirayama (IH) model for S = 6, which indicates that the energy transfer between the donor and acceptor is of dipole-dipole type. The systematic analysis of revealed that the energy transfer mechanism strongly depends on Dy3+ ions concentration and the host glass composition.

Total absorption spectroscopy of fission fragments relevant for reactor antineutrino spectra

DOE PAGES

Fallot, M.; Porta, A.; Meur, L. Le; ...

2017-09-13

Here, the accurate determination of reactor antineutrino spectra remains a very active research topic for which new methods of study have emerged in recent years. Indeed, following the long-recognized reactor anomaly (measured antineutrino deficit in short baseline reactor experiments when compared with spectral predictions), the three international reactor neutrino experiments Double Chooz, Daya Bay and Reno have recently demonstrated the existence of spectral distortions in their measurements with respect to the same predictions. These spectral predictions were obtained through the conversion of integral beta-energy spectra obtained at the ILL research reactor. Several studies have shown that the underlying nuclear physicsmore » required for the conversion of these spectra into antineutrino spectra is not totally understood. An alternative to such converted spectra is a complementary approach that consists of determining the antineutrino spectrum by means of the measurement and processing of nuclear data. The beta properties of some key fission products suffer from the pandemonium effect which can be circumvented by the use of the Total Absorption Gamma-ray Spectroscopy technique (TAGS). The two main contributors to the Pressurized Water Reactor antineutrino spectrum in the region where the spectral distortion has been observed are 92Rb and 142Cs, which have been measured at the radioactive beam facility of the University of Jyvaskyla in two TAGS experiments. We present the results of the analysis of the TAGS measurements of the β-decay properties of 92Rb along with preliminary results on 142Cs and report on the measurements already performed.« less

Total absorption spectroscopy of fission fragments relevant for reactor antineutrino spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fallot, M.; Porta, A.; Meur, L. Le

Here, the accurate determination of reactor antineutrino spectra remains a very active research topic for which new methods of study have emerged in recent years. Indeed, following the long-recognized reactor anomaly (measured antineutrino deficit in short baseline reactor experiments when compared with spectral predictions), the three international reactor neutrino experiments Double Chooz, Daya Bay and Reno have recently demonstrated the existence of spectral distortions in their measurements with respect to the same predictions. These spectral predictions were obtained through the conversion of integral beta-energy spectra obtained at the ILL research reactor. Several studies have shown that the underlying nuclear physicsmore » required for the conversion of these spectra into antineutrino spectra is not totally understood. An alternative to such converted spectra is a complementary approach that consists of determining the antineutrino spectrum by means of the measurement and processing of nuclear data. The beta properties of some key fission products suffer from the pandemonium effect which can be circumvented by the use of the Total Absorption Gamma-ray Spectroscopy technique (TAGS). The two main contributors to the Pressurized Water Reactor antineutrino spectrum in the region where the spectral distortion has been observed are 92Rb and 142Cs, which have been measured at the radioactive beam facility of the University of Jyvaskyla in two TAGS experiments. We present the results of the analysis of the TAGS measurements of the β-decay properties of 92Rb along with preliminary results on 142Cs and report on the measurements already performed.« less

Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models.

PubMed

Martínez-Fernández, L; Pepino, A J; Segarra-Martí, J; Banyasz, A; Garavelli, M; Improta, R

2016-09-13

The optical spectra of 5-methylcytidine in three different solvents (tetrahydrofuran, acetonitrile, and water) is measured, showing that both the absorption and the emission maximum in water are significantly blue-shifted (0.08 eV). The absorption spectra are simulated based on CAM-B3LYP/TD-DFT calculations but including solvent effects with three different approaches: (i) a hybrid implicit/explicit full quantum mechanical approach, (ii) a mixed QM/MM static approach, and (iii) a QM/MM method exploiting the structures issuing from molecular dynamics classical simulations. Ab-initio Molecular dynamics simulations based on CAM-B3LYP functionals have also been performed. The adopted approaches all reproduce the main features of the experimental spectra, giving insights on the chemical-physical effects responsible for the solvent shifts in the spectra of 5-methylcytidine and providing the basis for discussing advantages and limitations of the adopted solvation models.

Fluorescence, Absorption, and Excitation Spectra of Polycyclic Aromatic Hydrocarbons as a Tool for Quantitative Analysis

ERIC Educational Resources Information Center

Rivera-Figueroa, A. M.; Ramazan, K. A.; Finlayson-Pitts, B. J.

2004-01-01

A quantitative and qualitative study of the interplay between absorption, fluorescence, and excitation spectra of pollutants called polycyclic aromatic hydrocarbons (PAHs) is conducted. The study of five PAH displays the correlation of the above-mentioned properties along with the associated molecular changes.

Analysis of atmospheric trace constituents from high resolution infrared balloon-borne and ground-based solar absorption spectra

NASA Technical Reports Server (NTRS)

Goldman, A.; Murcray, F. J.; Rinsland, C. P.; Blatherwick, R. D.; Murcray, F. H.; Murcray, D. G.

1991-01-01

Results of ongoing studies of high-resolution solar absorption spectra aimed at the identification and quantification of trace constituents of importance in the chemistry of the stratosphere and upper troposphere are presented. An analysis of balloon-borne and ground-based spectra obtained at 0.0025/cm covering the 700-2200/cm interval is presented. The 0.0025/cm spectra, along with corresponding laboratory spectra, improves the spectral line parameters, and thus the accuracy of quantifying trace constituents. Results for COF2, F22, SF6, and other species are presented. The retrieval methods used for total column density and altitude distribution for both ground-based and balloon-borne spectra are also discussed.

Spectroscopic investigations of neodymium doped barium bismuth fluoroborate glasses

NASA Astrophysics Data System (ADS)

Mariselvam, K.; Arun Kumar, R.; Manasa, P.

2018-06-01

A new series of neodymium doped barium bismuth fluoroborate glasses with the chemical composition of (70-x)H3BO3 + 5Bi2O3 + 10BaCO3 + 7.5CaF2 + 7.5ZnO + xNd2O3 (where x = 0.05, 0.1, 0.25, 0.5, 1, 2 (in wt.%) have been prepared by the conventional melt quenching method. The powder X-ray diffraction pattern confirms the amorphous nature of the prepared glasses. The Urbach energy reveals the minimum disorderness of the glass samples. Judd-Ofelt intensity parameters (Ωλ = 2, 4 and 6) were derived from the absorption spectrum and were used to calculate the emission properties. The near infrared emission spectra recorded with 808 nm laser diode excitation for different concentrations of Nd3+ ions and the emission for the 4F3/2 → 4I11/2 transition at 1060 nm found to be high intense. The measured decay curves for 4F3/2 fluorescent level exhibit single exponential nature with shortening of lifetime with increase in concentration. The laser parameters such as stimulated emission cross-section, branching ratios, gain band width and optical gain values are found to be high for BBFB:Nd3+ (0.5 wt%) glass. Hence, the results suggested that the present BBFB:Nd3+ (0.5 wt%) glass could be used as an efficient infrared laser source around 1.06 μm region.

Implications of New Methane Absorption Coefficients on Uranus Vertical Structure Derived from Near-IR Spectra

NASA Astrophysics Data System (ADS)

Fry, Patrick M.; Sromovsky, L. A.

2009-09-01

Using new methane absorption coefficients from Karkoschka and Tomasko (2009, submitted to Icarus, "Methane Absorption Coefficients for the Jovian Planets from Laboratory, Huygens, and HST Data"), we fit Uranus near-IR spectra previously analyzed in Sromovsky et al. (2006, Icarus 182, 577-593, Fink and Larson, 1979 J- and H-band), Sromovsky and Fry (2008, Icarus 193, 252-266, 2006 NIRC2 J- and H-band, 2006 SpeX) using Irwin et al. (2006, Icarus 181, 309-319) methane absorption coefficients. Because the new absorption coefficients usually result in higher opacities at the low temperatures seen in Uranus' upper troposphere, our previously derived cloud altitudes are expected to generally rise to higher altitudes. For example, using Lindal et al. (1987, JGR 92, 14987-15001) model D temperature and methane abundance profiles, we are better able to fit the J-band 43-deg. south bright band with the new coefficients (chi-square=205, vs. 315 for Irwin), with the pressure of the upper tropospheric cloud decreasing to 1.6 bars (from 2.4 bars using Irwin coefficients). Improvements in fitting H-band spectra from the same latitude are not as readily obtained. Derived upper tropospheric cloud pressures are very similar using the two absorption datasets (1.6-1.7 bars), but the character of the fits differs. New Karkoschka and Tomasko coefficients better fit some details in the 1.5-1.58 micron region, but Irwin fits the broad absorption band wing at 1.61-1.62 microns better, and the fit chi-square values are similar (K&T: 243, Irwin: 220). Results for a higher methane concentration (Lindal et al. model F) were similar. Whether the new coefficients will simply raise derived altitudes across the planet or will result in fundamental changes in structure is as yet unclear. This work was suported by NASA planetary astronomy and planetary atmospheres programs.

Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites.

PubMed

Vorwerk, Christian; Hartmann, Claudia; Cocchi, Caterina; Sadoughi, Golnaz; Habisreutinger, Severin N; Félix, Roberto; Wilks, Regan G; Snaith, Henry J; Bär, Marcus; Draxl, Claudia

2018-04-19

In a combined theoretical and experimental work, we investigate X-ray absorption near-edge structure spectroscopy of the I L 3 and the Pb M 5 edges of the methylammonium lead iodide (MAPbI 3 ) hybrid inorganic-organic perovskite and its binary phase PbI 2 . The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred millielectronvolts and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in MAPbI 3 are essentially given by its inorganic component, with negligible influence from the organic groups. The theoretical analysis complementing experimental observations provides the conceptual insights required for a full characterization of this complex material.

Electronic absorption spectra of chromium-bearing sapphirine

NASA Astrophysics Data System (ADS)

Langer, K.; Platonov, A. N.; Matsuk, S. S.; Andrut, M.

1994-05-01

Violet, non-pleochroic and greenish-blue, pleochroic chromium-substituted sapphirines were found in corundum-bearing spinel-websterite xenolites from the Yakutian kimberlite pipes Noyabrskaya (N) and Sludyanka (Sl), respectively. The crystallochemical formulae of sapphirine crystals from such xenolites were determined by EMP to be (Mg3.40Fe0.23Al3.25Cr0.16)[6] Al{1.00/[6]}[O2/Al4.53Si1.47O18] (N) and (Mg2.53Fe0.55 Mn0.04Ti{0.03/4+}Al3.55Cr{0.08/3+})[6]Al{1.00/[16]}[O2/Al4.28Si1.73O18] (Sl). Single crystal spectra in the range 35000 6000 cm1- showed a slightly polarization dependent absorption edge near 3200 cm1- (N) or 30000 cm1- (Sl) and unpolarized bands at 25300 and 17300 cm1-, typical of spin-allowed transitions, derived from 4A2g→4T1g and 4A2g→4T2g, of Cr3+ in octahedral sites, with point symmetry C1, of the structure. Another weak band at 23000 cm-1 in the sapphirine-N spectra is attributed to low symmetry splitting of the excited 4T1 (F)-State of Cr3+. These assignments lead to crystal field parameters Dq=1730cm-1 and B= 685cm-1 of Cr3+ in sapphirine. Crystallochemical and spectroscopic arguments suggest that Cr3+ subsitutes for Al in the M(1) or M(8) sites of the sapphirine structure. In addition to Cr3+-transitions, spectra of Sl exhibit weak dd-bands of Fe2+ at 10000 and 7700 cm1-, which are unpolarized in consistency with the C1 site symmetry of the octahedra in the structure. Spectra of Sl show also prominent, broad bands (Δv1/2˜-5000 cm1-) at 15000 and 11000 cm1-, which occur in E//Y(//b) and E//Z(//c=12°) only and exhibit an intensity ratio αY∶αz close to 1∶3. This result, the large half width, as well as band energy — MM distance considerations suggest that these bands originate from Fe2+[6]-Fe3+[6] charge-transfer transitions in wall octahedra M(1)M(2), M(6)M(7) etc., forming MM vectors of 30° with the c-axis. The lack of Fe2+-Fe3+ charge-transfer bands in sapphirine N might indicate a lower oxygen fugacity during the formation of

The manifestation of optical centers in UV-Vis absorption and luminescence spectra of white blood human cells

NASA Astrophysics Data System (ADS)

Terent'yeva, Yu G.; Yashchuk, V. M.; Zaika, L. A.; Snitserova, O. M.; Losytsky, M. Yu

2016-12-01

A white blood human cells spectral investigation is presented. The aim of this series of experiments was to obtain and analyze the absorption and luminescence (fluorescence and phosphorescence) spectra at room temperature and at 78 K of newly isolated white blood human cells and their organelles. As a result the optical centers and possible biochemical components that form the studied spectra where identified. Also the differences between the spectra of abnormal cells (B-cell chronic lymphocytic leukemia BCLL) and normal ones were studied for the whole cells and individual organelles.

The absorption, fluorescence and phosphorescence spectra of α and β-F, Cl, Br-naphthalenes in crystalline matrixes at 77 K

NASA Astrophysics Data System (ADS)

Iliescu, T.; Milea, I.; Abdolrahman, P. M.

1984-03-01

The paper studies the absorption, fluorescence and phosphorescence spectra of α and β-F, Cl, Br-naphtalenes (α, β-F, Cl,BrN) in different matrixes at 77 K and different concentrations. From these spectra one obtaines the vibrational frequences.

X-Ray Absorption Spectra of Amorphous Ices from GW Quasiparticle Calculation

NASA Astrophysics Data System (ADS)

Kong, Lingzhu; Car, Roberto

2013-03-01

We use a GW approach[2] to compute the x-ray absorption spectra of model low- and high-density amorphous ice structures(LDA and HDA)[3]. We include the structural effects of quantum zero point motion using colored-noise Langevin molecular dynamics[4]. The calculated spectra differences in the main and post edge region between LDA and HDA agree well with experimental observations. We attribute these differences to the presence of interstitial molecules within the first coordination shell range in HDA. This assignment is further supported by a calculation of the spectrum of ice VIII, a high-pressure structure that maximizes the number of interstitial molecules and, accordingly, shows a much weaker post-edge feature. We further rationalize the spectral similarity between HDA and liquid water, and between LDA and ice Ih in terms of the respective similarities in the H-bond network topology and bond angle distributions. Supported by grants DOE-DE-SC0005180, DOE DE-SC0008626 and NSF-CHE-0956500.

Determination of absorption coefficient of nanofluids with unknown refractive index from reflection and transmission spectra

NASA Astrophysics Data System (ADS)

Kim, Joong Bae; Lee, Seungyoon; Lee, Kyungeun; Lee, Ikjin; Lee, Bong Jae

2018-07-01

It has been shown that the absorption coefficient of a nanofluid can be actively tuned by changing material, size, shape, and concentration of the nanoparticle suspension. In applications of engineered nanofluids for the direct absorption of solar radiation, it is important to experimentally characterize the absorption coefficient of nanofluids in the solar spectrum. If the refractive index of the base fluid (i.e., the solution without nanoparticles) is known a priori, the absorption coefficient of nanofluids can be easily determined from the transmission spectrum. However, if the refractive index of the base fluid is not known, it is not straightforward to extract the absorption coefficient solely from the transmission spectrum. The present work aims to develop an analytical method of determining the absorption coefficient of nanofluids with unknown refractive index by measuring both reflection and transmission spectra. The proposed method will be validated with deionized water, and the effect of measurement uncertainty will be carefully examined. Finally, the general applicability of the proposed method will also be demonstrated for Therminol VP-1 as well as the Therminol VP-1 - graphite nanofluid.

Retrieval of phytoplankton cell size from chlorophyll a specific absorption and scattering spectra of phytoplankton.

PubMed

Zhou, Wen; Wang, Guifen; Li, Cai; Xu, Zhantang; Cao, Wenxi; Shen, Fang

2017-10-20

Phytoplankton cell size is an important property that affects diverse ecological and biogeochemical processes, and analysis of the absorption and scattering spectra of phytoplankton can provide important information about phytoplankton size. In this study, an inversion method for extracting quantitative phytoplankton cell size data from these spectra was developed. This inversion method requires two inputs: chlorophyll a specific absorption and scattering spectra of phytoplankton. The average equivalent-volume spherical diameter (ESD v ) was calculated as the single size approximation for the log-normal particle size distribution (PSD) of the algal suspension. The performance of this method for retrieving cell size was assessed using the datasets from cultures of 12 phytoplankton species. The estimations of a(λ) and b(λ) for the phytoplankton population using ESD v had mean error values of 5.8%-6.9% and 7.0%-10.6%, respectively, compared to the a(λ) and b(λ) for the phytoplankton populations using the log-normal PSD. The estimated values of C i ESD v were in good agreement with the measurements, with r 2 =0.88 and relative root mean square error (NRMSE)=25.3%, and relatively good performances were also found for the retrieval of ESD v with r 2 =0.78 and NRMSE=23.9%.

Determining CDOM Absorption Spectra in Diverse Aquatic Environments Using a Multiple Pathlength, Liquid Core Waveguide System

NASA Technical Reports Server (NTRS)

Miller, Richard L.; Belz, Mathias; DelCastillo, Carlos; Trzaska, Rick

2001-01-01

We evaluated the accuracy, sensitivity and precision of a multiple pathlength, liquid core waveguide (MPLCW) system for measuring colored dissolved organic matter (CDOM) absorption in the UV-visible spectral range (370-700 nm). The MPLCW has four optical paths (2.0, 9.8, 49.3, and 204 cm) coupled to a single Teflon AF sample cell. Water samples were obtained from inland, coastal and ocean waters ranging in salinity from 0 to 36 PSU. Reference solutions for the MPLCW were made having a refractive index of the sample. CDOM absorption coefficients, aCDOM, and the slope of the log-linearized absorption spectra, S, were compared with values obtained using a dual-beam spectrophotometer. Absorption of phenol red secondary standards measured by the MPLCW at 558 nm were highly correlated with spectrophotometer values and showed a linear response across all four pathlengths. Values of aCDOM measured using the MPLCW were virtually identical to spectrophotometer values over a wide range of concentrations. The dynamic range of aCDOM for MPLCW measurements was 0.002 - 231.5 m-1. At low CDOM concentrations spectrophotometric aCDOM were slightly greater than MPLCW values and showed larger fluctuations at longer wavelengths due to limitations in instrument precision. In contrast, MPLCW spectra followed an exponential to 600 nm for all samples.

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera

NASA Astrophysics Data System (ADS)

Wan, Yuhang; Carlson, John A.; Kesler, Benjamin A.; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A.; Lim, Sung Jun; Smith, Andrew M.; Dallesasse, John M.; Cunningham, Brian T.

2016-07-01

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid’s absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics.

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera.

PubMed

Wan, Yuhang; Carlson, John A; Kesler, Benjamin A; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A; Lim, Sung Jun; Smith, Andrew M; Dallesasse, John M; Cunningham, Brian T

2016-07-08

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid's absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics.

Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vorwerk, Christian; Hartmann, Claudia; Cocchi, Caterina

In a combined theoretical and experimental work, we investigate X-ray absorption near-edge structure spectroscopy of the I L 3 and the Pb M 5 edges of the methylammonium lead iodide (MAPbI 3) hybrid inorganic-organic perovskite and its binary phase PbI 2. The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred millielectronvolts and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in MAPbI 3 are essentially given by its inorganic component, with negligible influence from the organic groups. Furthermore, the theoretical analysis complementing experimental observationsmore » provides the conceptual insights required for a full characterization of this complex material.« less

Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic–Inorganic Lead Halide Perovskites

DOE PAGES

Vorwerk, Christian; Hartmann, Claudia; Cocchi, Caterina; ...

2018-03-23

In a combined theoretical and experimental work, we investigate X-ray absorption near-edge structure spectroscopy of the I L 3 and the Pb M 5 edges of the methylammonium lead iodide (MAPbI 3) hybrid inorganic-organic perovskite and its binary phase PbI 2. The absorption onsets are dominated by bound excitons with sizable binding energies of a few hundred millielectronvolts and pronounced anisotropy. The spectra of both materials exhibit remarkable similarities, suggesting that the fingerprints of core excitations in MAPbI 3 are essentially given by its inorganic component, with negligible influence from the organic groups. Furthermore, the theoretical analysis complementing experimental observationsmore » provides the conceptual insights required for a full characterization of this complex material.« less

IR absorption and surface-enhanced Raman spectra of the isoquinoline alkaloid berberine

NASA Astrophysics Data System (ADS)

Strekal', N. D.; Motevich, I. G.; Nowicky, J. W.; Maskevich, S. A.

2007-01-01

We present the IR absorption and surface-enhanced Raman scattering (SERS) spectra of the isoquinoline alkaloid berberine adsorbed on a silver hydrosol and on the surface of a silver electrode for different potentials. Based on quantum chemical calculations, for the first time we have assigned the vibrations in the berberine molecule according to vibrational mode. The effect of the potential of the silver electrode on the geometry of sorption of the molecule on the surface is considered, assuming a short-range mechanism for enhancement of Raman scattering.

Application of support vector machine method for the analysis of absorption spectra of exhaled air of patients with broncho-pulmonary diseases

NASA Astrophysics Data System (ADS)

Bukreeva, Ekaterina B.; Bulanova, Anna A.; Kistenev, Yury V.; Kuzmin, Dmitry A.; Tuzikov, Sergei A.; Yumov, Evgeny L.

2014-11-01

The results of the joint use of laser photoacoustic spectroscopy and chemometrics methods in gas analysis of exhaled air of patients with respiratory diseases (chronic obstructive pulmonary disease, pneumonia and lung cancer) are presented. The absorption spectra of exhaled breath of all volunteers were measured, the classification methods of the scans of the absorption spectra were applied, the sensitivity/specificity of the classification results were determined. It were obtained a result of nosological in pairs classification for all investigated volunteers, indices of sensitivity and specificity.

Electronic and nuclear contributions to time-resolved optical and X-ray absorption spectra of hematite and insights into photoelectrochemical performance

DOE PAGES

Hayes, Dugan; Hadt, Ryan G.; Emery, Jonathan D.; ...

2016-11-02

Ultrafast time-resolved studies of photocatalytic thin films can provide a wealth of information crucial for understanding and thereby improving the performance of these materials by directly probing electronic structure, reaction intermediates, and charge carrier dynamics. The interpretation of transient spectra, however, can be complicated by thermally induced structural distortions, which appear within the first few picoseconds following excitation due to carrier–phonon scattering. Here we present a comparison of ex situ steady-state thermal difference spectra and transient absorption spectra spanning from NIR to hard X-ray energies of hematite thin films grown by atomic layer deposition. We find that beyond the firstmore » 100 picoseconds, the transient spectra measured for all excitation wavelengths and probe energies are almost entirely due to thermal effects as the lattice expands in response to the ultrafast temperature jump and then cools to room temperature on the microsecond timescale. At earlier times, a broad excited state absorption band that is assigned to free carriers appears at 675 nm, and the lifetime and shape of this feature also appear to be mostly independent of excitation wavelength. The combined spectroscopic data, which are modeled with density functional theory and full multiple scattering calculations, support an assignment of the optical absorption spectrum of hematite that involves two LMCT bands that nearly span the visible spectrum. Lastly, our results also suggest a framework for shifting the ligand-to-metal charge transfer absorption bands of ferric oxide films from the near-UV further into the visible part of the solar spectrum to improve solar conversion efficiency.« less

Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tu, Guangde; Rinkevicius, Zilvinas; Vahtras, Olav

We outline an approach within time-dependent density functional theory that predicts x-ray spectra on an absolute scale. The approach rests on a recent formulation of the resonant-convergent first-order polarization propagator [P. Norman et al., J. Chem. Phys. 123, 194103 (2005)] and corrects for the self-interaction energy of the core orbital. This polarization propagator approach makes it possible to directly calculate the x-ray absorption cross section at a particular frequency without explicitly addressing the excited-state spectrum. The self-interaction correction for the employed density functional accounts for an energy shift of the spectrum, and fully correlated absolute-scale x-ray spectra are thereby obtainedmore » based solely on optimization of the electronic ground state. The procedure is benchmarked against experimental spectra of a set of small organic molecules at the carbon, nitrogen, and oxygen K edges.« less

A Statistical Study of the Southern Fermi Bubble in UV Absorption Spectra

NASA Astrophysics Data System (ADS)

Karim, Md. Tanveer; Fox, Andrew; Jenkins, Edward; Bordoloi, Rongmon; Wakker, Bart; Savage, Blair D.; Lockman, Felix; Crawford, Steve; Bland-Hawthorn, Joss; Jorgenson, Regina A.

2018-01-01

The Fermi Bubbles are two giant lobes of plasma situated at the center of the Milky Way, extending 55° above and below the Galactic Midplane. Although the Bubbles have been widely studied in multiple wavelengths, few studies have been done in UV absorption. Here we present a statistical study of the Southern Fermi Bubble using 17 QSO sightlines — 6 inside the Bubble, 11 outside — using UV absorption spectra from the Hubble Space Telescope Cosmic Origins Spectrograph (HST/COS). We searched for high-velocity clouds (HVCs) in 11 metal lines from ions of Aluminium, Carbon and Silicon. We detected HVCs in 83% of the sightlines inside the Bubble and 64% outside the Bubble, showing an enhancement in the covering fraction of HVCs in the Southern Bubble region. We also observed a decrease in vLSR of the HVCs as a function of the galactic latitude, consistent with a scenario where the identified HVCs trace the Galactic nuclear outflow, as sightlines closer to the central engine are expected to show a higher velocity. Combined with previous studies, our analysis indicates that the Southern Fermi Bubble is a dynamic environment giving rise to complex absorption features.

Identifying Student and Teacher Difficulties in Interpreting Atomic Spectra Using a Quantum Model of Emission and Absorption of Radiation

ERIC Educational Resources Information Center

Savall-Alemany, Francisco; Domènech-Blanco, Josep Lluís; Guisasola, Jenaro; Martínez-Torregrosa, Joaquín

2016-01-01

Our study sets out to identify the difficulties that high school students, teachers, and university students encounter when trying to explain atomic spectra. To do so, we identify the key concepts that any quantum model for the emission and absorption of electromagnetic radiation must include to account for the gas spectra and we then design two…

Measurements of spectral parameters of water-vapour transitions near 1388 and 1345 nm for accurate simulation of high-pressure absorption spectra

NASA Astrophysics Data System (ADS)

Liu, Xiang; Jeffries, Jay B.; Hanson, Ronald K.

2007-05-01

Quantitative near-infrared absorption spectroscopy of water-vapour overtone and combination bands at high pressures is complicated by pressure broadening and shifting of individual lines and the blending of neighbouring transitions. An experimental and computational methodology is developed to determine accurate high-pressure absorption spectra. This case study investigates two water-vapour transitions, one near 1388 nm (7203.9 cm-1) and the other near 1345 nm (7435.6 cm-1), for potential two-line absorption measurements of temperature in the range of 400-1050 K with a pressure varying from 5-25 atm. The required quantitative spectroscopy data (line strength, collisional broadening, and pressure-induced frequency shift) of the target transitions and their neighbours (a total of four H2O vapour transitions near 1388 nm and six transitions near 1345 nm) are measured in neat H2O vapour, H2O-air and H2O-CO2 mixtures as a function of temperature (296-1000 K) at low pressures (<800 Torr). Precise values of the line strength S(T), pressure-broadening coefficients γair(T) and \\gamma _{CO_2 } (T), and pressure-shift coefficients δair(T) and \\delta _{CO_2 } (T) for the ten transitions were inferred from the measured spectra and compared with data from HITRAN 2004. A hybrid spectroscopic database was constructed by modifying HITRAN 2004 to incorporate these values for simulation of water-vapour-absorption spectra at high pressures. Simulations using this hybrid database are in good agreement with high pressure experiments and demonstrate that data collected at modest pressures can be used to simulate high-pressure absorption spectra.

Quantitative photoacoustic microscopy of optical absorption coefficients from acoustic spectra in the optical diffusive regime

NASA Astrophysics Data System (ADS)

Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro; Wang, Lihong V.

2012-06-01

Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560, 565, 570, and 575 nm were quantified with errors of <3%. We also quantified the total hemoglobin concentration and hemoglobin oxygen saturation in a live mouse. Compared with the conventional amplitude method, the acoustic spectral method provides greater quantification accuracy in the optical diffusive regime. The limitations of the acoustic spectral method was also discussed.

Quantitative photoacoustic microscopy of optical absorption coefficients from acoustic spectra in the optical diffusive regime

PubMed Central

Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro

2012-01-01

Abstract. Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560, 565, 570, and 575 nm were quantified with errors of <3%. We also quantified the total hemoglobin concentration and hemoglobin oxygen saturation in a live mouse. Compared with the conventional amplitude method, the acoustic spectral method provides greater quantification accuracy in the optical diffusive regime. The limitations of the acoustic spectral method was also discussed. PMID:22734767

Quantitative photoacoustic microscopy of optical absorption coefficients from acoustic spectra in the optical diffusive regime.

PubMed

Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro; Wang, Lihong V

2012-06-01

Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560, 565, 570, and 575 nm were quantified with errors of <3%. We also quantified the total hemoglobin concentration and hemoglobin oxygen saturation in a live mouse. Compared with the conventional amplitude method, the acoustic spectral method provides greater quantification accuracy in the optical diffusive regime. The limitations of the acoustic spectral method was also discussed.

VizieR Online Data Catalog: Sgr B2 los molecular absorption line spectra (Corby+, 2018)

NASA Astrophysics Data System (ADS)

Corby, J. F.; McGuire, B. A.; Herbst, E.; Remijan, A. J.

2017-11-01

Spectra covering transitions of c-C3H2, c-H1 SO, CCS, H2CS, HCS+, OH, SiO, 29SiO, H2CO, H2(13C)O, l-C3H, and l-C3H+ with line-of-sight absorption observed in the 1-50 GHz data from the PRebiotic Interstellar MOlecular Survey (PRIMOS) taken with the Robert C. Byrd Green Bank Telescope (GBT). Data were observed between 2001 and 2014, with the majority of the data obtained in 2007 in GBT Key Science project ID GBT07A-051. Spectra have been baseline-subtracted using best fit polynomials as described in the paper, and normalized by the continuum, so that the y-axis represents (T/TC-1). Data are provided in the FITS format; each FITS file contains all lines of a single molecule that are observed to have foreground absorption. Please refer to Table 1 of the paper to obtain molecular transition rest frequencies, energies, GBT beam sizes, and transition quantum numbers. (2 data files).

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera

PubMed Central

Wan, Yuhang; Carlson, John A.; Kesler, Benjamin A.; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A.; Lim, Sung Jun; Smith, Andrew M.; Dallesasse, John M.; Cunningham, Brian T.

2016-01-01

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid’s absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics. PMID:27389070

Long-Range Chemical Sensitivity in the Sulfur K-Edge X-ray Absorption Spectra of Substituted Thiophenes

PubMed Central

2015-01-01

Thiophenes are the simplest aromatic sulfur-containing compounds and are stable and widespread in fossil fuels. Regulation of sulfur levels in fuels and emissions has become and continues to be ever more stringent as part of governments’ efforts to address negative environmental impacts of sulfur dioxide. In turn, more effective removal methods are continually being sought. In a chemical sense, thiophenes are somewhat obdurate and hence their removal from fossil fuels poses problems for the industrial chemist. Sulfur K-edge X-ray absorption spectroscopy provides key information on thiophenic components in fuels. Here we present a systematic study of the spectroscopic sensitivity to chemical modifications of the thiophene system. We conclude that while the utility of sulfur K-edge X-ray absorption spectra in understanding the chemical composition of sulfur-containing fossil fuels has already been demonstrated, care must be exercised in interpreting these spectra because the assumption of an invariant spectrum for thiophenic forms may not always be valid. PMID:25116792

The origin of absorptive features in the two-dimensional electronic spectra of rhodopsin.

PubMed

Farag, Marwa H; Jansen, Thomas L C; Knoester, Jasper

2018-05-09

In rhodopsin, the absorption of a photon causes the isomerization of the 11-cis isomer of the retinal chromophore to its all-trans isomer. This isomerization is known to occur through a conical intersection (CI) and the internal conversion through the CI is known to be vibrationally coherent. Recently measured two-dimensional electronic spectra (2DES) showed dramatic absorptive spectral features at early waiting times associated with the transition through the CI. The common two-state two-mode model Hamiltonian was unable to elucidate the origin of these features. To rationalize the source of these features, we employ a three-state three-mode model Hamiltonian where the hydrogen out-of plane (HOOP) mode and a higher-lying electronic state are included. The 2DES of the retinal chromophore in rhodopsin are calculated and compared with the experiment. Our analysis shows that the source of the observed features in the measured 2DES is the excited state absorption to a higher-lying electronic state and not the HOOP mode.

Substituent and solvent effects on the UV/vis absorption spectra of 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones

NASA Astrophysics Data System (ADS)

Mijin, Dušan Ž.; Ušćumlić, Gordana S.; Perišić-Janjić, Nada U.; Valentić, Nataša V.

2006-01-01

Absorption spectra of seventeen 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones have been recorded in 12 protic and aprotic solvents in the range 200-600 nm. The effects of substituents on the absorption spectra of these new azo dyes are interpreted by correlation of absorption frequencies with Hammett equation. The solute-solvent interactions were clarified on the basis of linear solvation energy relationships concept proposed by Kamlet and Taft. The 2-pyridone/2-hydroxypiridine tautomeric equilibration is found to depend upon substituents as well as on solvents.

The IR Absorption Spectra of Aqueous Solutions of Dimethylsulfoxide over the Frequency Range 50-300 cm-1 and the Mobility of Water Molecules

NASA Astrophysics Data System (ADS)

Klemenkova, Z. S.; Novskova, T. A.; Lyashchenko, A. K.

2008-04-01

The IR absorption spectra of aqueous solutions of dimethylsulfoxide (DMSO) with concentrations from 100% H2O to 100% DMSO were recorded over the frequency range 50-500 cm-1. The absorption spectra were described using the theoretical scheme of hindered rotators. A model was developed according to which orientation relaxation in solution was related to separate rotations of H2O and DMSO molecules through fixed small and (or) large angles in a unified network of H-bonds consisting of several subsystems ordered to various degrees. The calculated absorption spectra were in agreement with the experimental data in the far IR region. Elementary motions of molecules were found to slow down in the passage from pure dimethylsulfoxide to its aqueous solutions. The special features of the hydrophilic and hydrophobic hydration of DMSO polar and nonpolar groups were considered.

PARTIAL REVISION: ABSORPTION SPECTRUM AND QUANTUM STATES OF THE PRASEODYMIUM ION. I. SINGLE CRYSTALS OF PRASEODYMIUM CHLORIDE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sayre, E.V.; Sancier, K.M.; Freed, S.

1958-07-01

In an analysis of term splitting in the absorption spectrum of 24 samples of praseodymium chloride, Judd (Proc. Roy. Soc. (London) A241, 414(1957)) found all but two of the authors' results to be constant with his. A discussion of reconciliation is presentrd, and the authors point out that the error is due to a mistake in descrimination between electronic transitions and the weak vibrationally coupled lines. (J.R.D.)

Carbon X-ray absorption in the local ISM: fingerprints in X-ray Novae spectra

NASA Astrophysics Data System (ADS)

Gatuzz, Efraín; Ness, J.-U.; Gorczyca, T. W.; Hasoglu, M. F.; Kallman, Timothy R.; García, Javier A.

2018-06-01

We present a study of the C K-edge using high-resolution LETGS Chandra spectra of four novae during their super-soft-source (SSS) phase. We identified absorption lines due to C II Kα, C III Kα and C III Kβ resonances. We used these astronomical observations to perform a benchmarking of the atomic data, which involves wavelength shifts of the resonances and photoionization cross-sections. We used improved atomic data to estimate the C II and C III column densities. The absence of physical shifts for the absorption lines, the consistence of the column densities between multiple observations and the high temperature required for the SSS nova atmosphere modeling support our conclusion about an ISM origin of the respective absorption lines. Assuming a collisional ionization equilibrium plasma the maximum temperature derived from the ratio of C II/C III column densities of the absorbers correspond to Tmax < 3.05 × 104 K.

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

DOE PAGES

Wu, M.; Xin, Houlin L.; Wang, J. O.; ...

2018-04-24

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, M.; Xin, Houlin L.; Wang, J. O.

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Influence of polarity of solvents on IR absorption and Raman spectra of ascorbic acid

NASA Astrophysics Data System (ADS)

Kutsenko, S. A.; Danyaeva, Y. S.; Maximova, S. V.

2018-04-01

The results of numerical calculations of IR absorption and Raman spectra of ascorbic acid in polar and nonpolar solutions are presented. The dependence of the change in the total energy and the dipole moment of the molecule on the characteristics of the solvents was investigated using the two solvation models. Spectral bands and the corresponding structural groups of the molecule are found, the characteristics of which are most vulnerable to solvents.

One- and two-photon absorption spectra of the yellow fluorescent protein citrine: effects of intramolecular electron-vibrational coupling and intermolecular interactions

NASA Astrophysics Data System (ADS)

Chen, Fasheng; Zhao, Xinyi; Liang, WanZhen

2018-04-01

Both the vibrationally resolved and statistically averaged one-photon absorption (OPA) and two-photon absorption (TPA) spectra of the anionic form of chromophore (AC) in its micro-environment of yellow fluorescent protein (YFP) Citrine have been calculated. The result comparison has been made with those of the AC model compounds in vacuo and methanol solution, which allows us to allocate the individual contribution of the intramolecular electron-vibrational coupling, the electrostatic π-stacking interaction between Tyr203 and AC, and the interaction between AC and its micro-environment to the spectra. The results reveal that the non-Condon vibronic coupling effect is responsible for the blue shift of TPA absorption maximum compared with its OPA counterpart corresponding to S0 → S1, and that the π-stacking interaction between Tyr203 and AC alters the relative intensities of TPA maxima, which further enhances the higher-energy vibronic peaks and weakens the lowest-energy peak. The statically averaged OPA and TPA spectra calculated by quantum mechanics/molecular mechanics (QM/MM) methods based on Born-Oppenheimer molecular dynamics simulation largely deviate the experimental spectral lineshapes, which further verifies the significant contribution of non-Condon vibronic coupling effect on the spectra. The interaction of individual amino acid residue or water close to AC+Tyr203 has different effects on the spectra, which may increase/decrease the excitation energy depending on its position and electronic property.

Structural and luminescence behavior of Er(3+) ions doped Barium tellurofluoroborate glasses.

PubMed

Annapoorani, K; Maheshvaran, K; Arunkumar, S; Suriya Murthy, N; Marimuthu, K

2015-01-25

Er(3+) doped Barium tellurofluoroborate glasses (BTFBxE) with the chemical composition (30-x)TeO2+30B2O3+20BaO+20BaF+xEr2O3 (where x=0.01, 0.05, 0.1, 0.5, 1.0 and 2.0 in wt%) were prepared following the melt quenching technique. The different vibrational modes of borates and tellurites in the prepared glasses were explored through FTIR and Raman spectra. The optical absorption spectra have been used to determine the ionic/covalent nature of the metal-ligand bond in the prepared glasses with the help of Nephelauxetic ratio (β) and bonding parameter (δ) studies. The optical band gap of direct and indirect allowed transitions were determined from Tauc's plot and the variations of band gap energy with structural arrangements were discussed. The Urbach energy values were determined and the relatively lower values of the Urbach's energy reveal the minimal degree of disorderness in the prepared glasses. The oscillator strengths (fexp and fcal) and Judd-Ofelt (JO) intensity parameters (Ω2, Ω4 and Ω6) were calculated with the application of JO theory and the trends of the JO intensity parameters are found to be Ω2>Ω6>Ω4 for all the prepared glasses with a minimum variation in Ω2 intensity parameter values. A bright green emission was observed from the (2)H11/2+(4)S3/2→ (4)I15/2 transition and the radiative properties such as transition probability (A), stimulated emission cross-section (σP(E)), branching ratio (βr) and radiative lifetime (τ) were calculated using the JO parameters. The suitability of the prepared glasses for the fabrication of photonic devices were also discussed and reported in the present work. Copyright © 2014 Elsevier B.V. All rights reserved.

Optical and spectroscopic properties of neodymium doped cadmium-sodium borate glasses

NASA Astrophysics Data System (ADS)

Mohan, Shaweta; Thind, Kulwant Singh

2017-10-01

Neodymium doped cadmium sodium borate glasses having composition xCdO-(40-x) Na2CO3-59.5H3BO3-0.5Nd2O3; x = 10, 20 and 30 mol% were prepared by conventional melt-quenching technique. X-ray diffraction studies confirmed the amorphous nature of the prepared glasses. Conventional methods were used to determine the physical properties such as density, molar volume, refractive index, and rare earth ion concentration. The Judd-Ofelt theory was applied on the optical absorption spectra of the glasses to evaluate the three phenomenological intensity parameters Ω2, Ω4 and Ω6. The calculated intensity parameters were further used to predict the radiative transition probability (A), radiative lifetime (τR) and branching ratio (βR) for the various fluorescent levels of Nd3+ ion in the prepared glass series. The effect of the compositional changes on the spectroscopic characteristics of Nd3+ ions have been studied and reported. The value of Ω2 is found to decrease with the decrease in the sodium content and the corresponding increase in the cadmium content. This can be ascribed to the changes in the asymmetry of the ligand field at the rare earth ion site and the change in rare earth oxygen (RE-O) covalency. Florescence spectra has been used to determine the peak wavelength (λp), effective line widths (Δλeff) and stimulated emission cross-section (σp) for the 4F3/2 → 4I9/2,4I11/2,4I13/2 transitions of the Nd3+ ion. The reasonably higher values of branching ratios and stimulated emission cross-section for the prepared glasses points towards the efficacy of these glasses as laser host materials. However, the glass with more sodium content is found to show better lasing properties.

Europium(III)-doped A2Hf2O7 (A = Y, Gd, Lu) nanoparticles: Influence of annealing temperature, europium(III) concentration and host cation on the luminescent properties

NASA Astrophysics Data System (ADS)

Papan, Jelena; Jovanović, Dragana J.; Vuković, Katarina; Smits, Krisjanis; Đorđević, Vesna; Dramićanin, Miroslav

2016-11-01

The detailed analyses of structure and luminescence of europium(III)-doped A2Hf2O7 (A = Y, Gd, Lu) nanoparticles is presented. Samples were prepared by time and cost effective combustion method that utilize polyethylene glycol both as a chelating agent and as a fuel, with different europium(III) concentrations (from 1 to 12 at.%), annealed at temperatures ranging from 800 to 1400 °C, and with alternating A3+ cation in the A2Hf2O7 host. Then, structural variations between materials were analysed by X-ray diffraction and structural refinement, while the changes in the luminescence were assessed from the Judd-Ofelt analyses of emission spectra. Nanoparticles prepared at the lowest temperature (800 °C) had the smallest particle size of ∼6 nm and showed the highest quantum efficiency when doped with 1 and 2 at.% of europium(III). Radiative transition rate and quantum efficiency of emission showed Lu2Hf2O7 > Gd2Hf2O7 > Y2Hf2O7 trend.

Absorption and electroabsorption spectra of carotenoid cation radical and dication

NASA Astrophysics Data System (ADS)

Krawczyk, Stanisław

1998-05-01

Radical cations and dications of two carotenoids astaxanthin and canthaxanthin were prepared by oxidation with FeCl 3 in fluorinated alcohols at room temperature. Absorption and electroabsorption (Stark effect) spectra were recorded for astaxanthin cations in mixed frozen matrices at temperatures about 160 K. The D 0→D 2 transition in cation radical is at 835 nm. The electroabsorption spectrum for the D 0→D 2 transition exhibits a negative change of molecular polarizability, Δ α=-1.2·10 -38 C·m 2/V (-105 A 3), which seems to originate from the change in bond order alternation in the ground state rather than from the electric field-induced interaction of D 1 and D 2 excited states. Absorption spectrum of astaxanthin dication is located at 715-717 nm, between those of D 0→D 2 in cation radical and S 0→S 2 in neutral carotenoid. Its shape reflects a short vibronic progression and strong inhomogeneous broadening. The polarizability change on electronic excitation, Δ α=2.89·10 -38 C·m 2/V (260 A 3), is five times smaller than in neutral astaxanthin. This value reflects the larger energetic distance from the lowest excited state to the higher excited states than in the neutral molecule.

Optical absorption spectra of substitutional Co2+ ions in Mgx Cd1-x Se alloys

NASA Astrophysics Data System (ADS)

Jin, Moon-Seog; Kim, Chang-Dae; Jang, Kiwan; Park, Sang-An; Kim, Duck-Tae; Kim, Hyung-Gon; Kim, Wha-Tek

2006-09-01

Optical absorption spectra of substitutional Co2+ ions in Mgx Cd1-x Se alloys were investigated in the composition region of 0.0 x 0.4 and in the wavelength region of 300 to 2500 nm at 4.8 K and 290 K. We observed several absorption bands in the wavelength regions corresponding to the 4A2(4F) 4T1(4P) transition and the 4A2(4F) 4T1(4F) transition of Co2+ at a tetrahedral Td point symmetry point in the host crystals, as well as unknown absorption bands. The several absorption bands were analyzed in the framework of the crystal-field theory along with the second-order spin-orbit coupling. The unknown absorption bands were assigned as due to phonon-assisted absorption bands. We also investigated the variations of the crystal-field parameter Dq and the Racah parameter B with composition x in the Mgx Cd1-x Se system. The results showed that the crystal-field parameter (Dq ) increases, on the other hand, the Racah parameter (B ) decreases with increasing composition x, which may be connected with an increase in the covalency of the metal-ligand bond with increasing composition x in the Mgx Cd1-x Se system.

Spectroscopy and enhanced frequency upconversion in Nd3+-Yb3+ codoped TPO glasses: energy transfer and NIR to visible upconverter.

PubMed

Azam, Mohd; Rai, Vineet Kumar; Mohanty, Deepak Kumar

2017-09-22

TeO 2 -Pb 3 O 4 (TPO) glasses codoped with Nd 3+ and Yb 3+ ions have been fabricated by conventional melting technique. The absorption, emission and excitation spectra of the samples have been recorded. The optical band gap in both the doped/codoped glasses is found to be ∼3.31 eV. Judd-Ofelt analysis has been carried out by using the absorption spectrum of 0.8 mol% Nd 3+ doped glass to determine the radiative properties viz radiative transition probabilities, branching ratios, radiative lifetimes, quality factor and emission cross sections of some emitting levels for Nd 3+ ions. The radiative transition probability for the 4 G 7/2  →  4 I 9/2 transition (∼1926 Hz) is found to be maximum compared to other 4 G 5/2  →  4 I 9/2 (∼1622 Hz) and 4 F 5/2  →  4 I 9/2 (∼865 Hz) transitions. Upconversion (UC) luminescence of the samples has been examined by the 980 nm CW diode laser excitation. Effect of addition of Yb 3+ ions in the Nd 3+ doped glasses on UC emission intensity has been discussed. The UC emission intensity corresponding to the green, red and NIR bands in the codoped glass has been enhanced by ∼17, ∼12 and ∼42 times as compared to that of the Nd 3+ singly doped glass. The quantum efficiency for the 4 G 7/2 level is found to be ∼32%. The nephelauxetic ratio, bonding parameter and covalency of Nd 3+ ions have been found positive which represents the covalent bonding between Nd 3+ ion and oxygen atom. The colour tunability from yellowish-green to dominant green region has been obtained in the optimized codoped TPO glass.

Spectroscopic study of Pr3+ ions doped Zinc Lead Tungsten Tellurite glasses for visible photonic device applications

NASA Astrophysics Data System (ADS)

Sharma, Ritu; Rao, A. S.; Deopa, Nisha; Venkateswarlu, M.; Jayasimhadri, M.; Haranath, D.; Prakash, G. Vijaya

2018-04-01

Zinc Lead Tungsten Tellurite (ZnPbWTe) glasses doped with different Pr3+ ion concentrations having the composition 5ZnO + 15PbO + 20WO3 + (60-x)TeO2 + xPr6O11 (where x = 0.5, 1, 1.5, 2.0 and 2.5 mol%) were prepared by using sudden quenching technique and characterized to understand their visible emission characteristic features using spectroscopic techniques such as absorption, excitation and emission. The Judd-Ofelt (J-O) theory has been applied to the absorption spectral features with an aim to evaluate various radiative properties for the prominent fluorescent levels of Pr3+ions in the as-prepared glasses. The emission spectra recorded for the as-prepared glasses under 468 nm excitation show three prominent emission transitions 3P0→3H6, 3P0→3F2 and 3P1→3F4, of which 3P0→3F2 observed in visible red region (648 nm), is relatively more intense. The intensity of 3P0→3F2 emission transition in the titled glasses increases up to 1mol% of Pr3+ ions and beyond concentration quenching is observed. Branching ratios (βR) and emission cross-sections (σse) were estimated for 3P0→3F2 transition to understand the luminescence efficiency in visible red region (648 nm). The CIE chromaticity coordinates were also evaluated in order to understand the suitability of these glasses for visible red luminescence devices. From the emission cross-sections, quantum efficiency and CIE coordinates, it was concluded that 1mol% of Pr3+ ions in ZnPbWTe glasses are quite suitable for preparing visible reddish orange luminescent devices.

Spectroscopy and enhanced frequency upconversion in Nd3+-Yb3+ codoped TPO glasses: energy transfer and NIR to visible upconverter

NASA Astrophysics Data System (ADS)

Azam, Mohd; Rai, Vineet Kumar; Mohanty, Deepak Kumar

2017-09-01

TeO2-Pb3O4 (TPO) glasses codoped with Nd3+ and Yb3+ ions have been fabricated by conventional melting technique. The absorption, emission and excitation spectra of the samples have been recorded. The optical band gap in both the doped/codoped glasses is found to be ˜3.31 eV. Judd-Ofelt analysis has been carried out by using the absorption spectrum of 0.8 mol% Nd3+ doped glass to determine the radiative properties viz radiative transition probabilities, branching ratios, radiative lifetimes, quality factor and emission cross sections of some emitting levels for Nd3+ ions. The radiative transition probability for the 4G7/2 → 4I9/2 transition (˜1926 Hz) is found to be maximum compared to other 4G5/2 → 4I9/2 (˜1622 Hz) and 4F5/2 → 4I9/2 (˜865 Hz) transitions. Upconversion (UC) luminescence of the samples has been examined by the 980 nm CW diode laser excitation. Effect of addition of Yb3+ ions in the Nd3+ doped glasses on UC emission intensity has been discussed. The UC emission intensity corresponding to the green, red and NIR bands in the codoped glass has been enhanced by ˜17, ˜12 and ˜42 times as compared to that of the Nd3+ singly doped glass. The quantum efficiency for the 4G7/2 level is found to be ˜32%. The nephelauxetic ratio, bonding parameter and covalency of Nd3+ ions have been found positive which represents the covalent bonding between Nd3+ ion and oxygen atom. The colour tunability from yellowish-green to dominant green region has been obtained in the optimized codoped TPO glass.

Unexpected solvent effects on the UV/Vis absorption spectra of o-cresol in toluene and benzene: in contrast with non-aromatic solvents

PubMed Central

Zheng, Dong; Yuan, Xiang-Ai; Ma, Haibo; Li, Xiaoxiong; Wang, Xizhang; Liu, Ziteng

2018-01-01

Cresol is a prototype molecule in understanding intermolecular interactions in material and biological systems, because it offers different binding sites with various solvents and protonation states under different pH values. It is found that the UV/Vis absorption spectra of o-cresol in aromatic solvents (benzene, toluene) are characterized by a sharp peak, unlike the broad double-peaks in 11 non-aromatic solvents. Both molecular dynamics simulations and electronic structure calculations revealed the formation of intermolecular π-complexation between o-cresol and aromatic solvents. The thermal movements of solvent and solute molecules render the conformations of o-cresol changing between trans and cis isomers. The π-interaction makes the cis configuration a dominant isomer, hence leading to the single keen-edged UV/Vis absorption peak at approximately 283 nm. The free conformation changes between trans and cis in aqueous solution rationalize the broader absorption peaks in the range of 260–280 nm. The pH dependence of the UV/Vis absorption spectra in aqueous solutions is also rationalized by different protonation states of o-cresol. The explicit solvent model with long-ranged interactions is vital to describe the effects of π-complexation and electrostatic interaction on the UV/Vis absorption spectra of o-cresol in toluene and alkaline aqueous (pH > 10.3) solutions, respectively. PMID:29657794

Unexpected solvent effects on the UV/Vis absorption spectra of o-cresol in toluene and benzene: in contrast with non-aromatic solvents.

PubMed

Zheng, Dong; Yuan, Xiang-Ai; Ma, Haibo; Li, Xiaoxiong; Wang, Xizhang; Liu, Ziteng; Ma, Jing

2018-03-01

Cresol is a prototype molecule in understanding intermolecular interactions in material and biological systems, because it offers different binding sites with various solvents and protonation states under different pH values. It is found that the UV/Vis absorption spectra of o -cresol in aromatic solvents (benzene, toluene) are characterized by a sharp peak, unlike the broad double-peaks in 11 non-aromatic solvents. Both molecular dynamics simulations and electronic structure calculations revealed the formation of intermolecular π-complexation between o -cresol and aromatic solvents. The thermal movements of solvent and solute molecules render the conformations of o -cresol changing between trans and cis isomers. The π-interaction makes the cis configuration a dominant isomer, hence leading to the single keen-edged UV/Vis absorption peak at approximately 283 nm. The free conformation changes between trans and cis in aqueous solution rationalize the broader absorption peaks in the range of 260-280 nm. The pH dependence of the UV/Vis absorption spectra in aqueous solutions is also rationalized by different protonation states of o -cresol. The explicit solvent model with long-ranged interactions is vital to describe the effects of π-complexation and electrostatic interaction on the UV/Vis absorption spectra of o -cresol in toluene and alkaline aqueous (pH > 10.3) solutions, respectively.

Optical studies on alkali-alkaline Dy3+-doped lead-alumino-boro-phosphate glasses for white LED's application

NASA Astrophysics Data System (ADS)

Joseph, P. Arun Jeganatha; Vinothini, J. Jemma; Maheshvaran, K.; Rayappan, I. Arul

2018-04-01

A new series 34B2O3+20NH4H2PO4+10Al2O3+10PbO+25MCO3+1Dy2O3, where (M= K2 and Mg) of Dy3+ doped lead-alumino-boro-phosphate glasses have been prepared by conventional melt quenching technique. The prepared glass samples were characterized through Optical absorption and photoluminescence spectra. The bonding parameter, Oscillator strength and Judd-Oflet (JO) parameter have been calculated and investigated through optical absorption spectra. The excitation and emission wavelength have been obtained through the photoluminescence spectra. The emission spectra exhibit two visible bands as 4F9/2→6H15/2 (Blue) and 4F9/2→6H13/2 (Yellow). Yellow to blue (Y/B) intensity ratio and chromaticity coordinates have been estimated for the stimulation of WLED applications.

Collision-Induced Absorption Spectra of Binary Mixtures of Molecular Hydrogen with Molecular Deuterium and Argon and of Pure Hydrogen, D

NASA Astrophysics Data System (ADS)

Hsieh, Chang-Tsang William

In the present research project a systematic study of the collision-induced infrared absorption (CIA) spectra of the binary mixtures of H_2 - D_2 in the region of the double fundamental vibrations of H_2 and D_2, and H_2 - Ar in the fundamental band of H_2, and of pure HD in its fundamental and first overtone regions was undertaken. The experiments were carried out with a 2.0 m high-pressure low-temperature transmission-type absorption cell at 77, 201 and 296 K at total gas densities up to 550 amagat. Infrared prism and grating spectrometers equipped with a microprocessor -controlled stepping motor were used to record the spectra. All the experimental results obtained represent first-time observations in collision-induced absorption. Collision-induced infrared absorption spectra of the double transitions of H_2(v=1>=ts 0) and D_2(v=1>=ts 0) have been observed at 77 and 201 K in the spectral region 7000-8000 cm^{-1} for total gas densities up to 550 amagat with a partial gas density ratio of 1:1 of H_2 and D_2. The observed spectra are interpreted in terms of the transitions, Q_1(J) of H_2+Q_1(J) of D _2, Q_1(J) of H_2+S _1(J) of D_2, S_1(J) of H_2 + Q_1(J) of D_2, and S_1(J) of H_2 + S_1(J) of D_2 for J = 0 and 1 for H _2 and J = 0, 1, and 2 for D_2. Analysis of the experimental absorption profiles was carried out using appropriate lineshape functions. The absorption coefficients, lineshape parameters, etc., are obtained from the analysis. Collision-induced enhancement absorption spectra of the fundamental band of H_2 in H_2 - Ar mixtures were recorded at room temperature for a base density of 72 amagat of H_2 for several partial densities of Ar up to 440 amagat. Hexadecapole-induced U transitions, U_1(1), U_1(2), Q_1(0)+U _0(1), and Q_1(1) + U_0(1) have been identified in the spectral region 5400 -6200 cm^{-1}. A "cage" model has been proposed to account for the double transitions of H_2 - H_2 in the H _2 - Ar enhancement spectra. From the analysis of the

Fluorescence properties of Nd3+-doped tellurite glasses.

PubMed

Kumar, K Upendra; Prathyusha, V A; Babu, P; Jayasankar, C K; Joshi, A S; Speghini, A; Bettinelli, M

2007-07-01

The compositional and concentration dependence of luminescence of the (4)F(3/2)-->(4)I(J) (J=13/2, 11/2 and 9/2) transitions in four Nd(3+)-doped tellurite based glasses has been studied. The free-ion energy levels obtained for 60TeO(2)+39ZnO(2)+1.0Nd(2)O(3) (TZN10) glass have been analysed using the free-ion Hamiltonian model and compared with similar results obtained for Nd(3+):glass systems. The absorption spectrum of TZN10 glass has been analysed using the Judd-Ofelt theory. Relatively longer decay rates have been obtained for Nd(3+)-doped phosphotellurite glasses. The emission characteristics of the (4)F(3/2)-->(4)I(11/2) transition, of the Nd(3+):TZN10 glass, are found to be comparable to those obtained for Nd(3+):phosphate laser glasses. The non-exponential shape of the emission decay curves for the (4)F(3/2)-->(4)I(11/2) transition is attributed to the presence of energy transfer processes between the Nd(3+) ions.

Predicting the Shifts of Absorption Maxima of Azulene Derivatives Using Molecular Modeling and ZINDO CI Calculations of UV-Vis Spectra

ERIC Educational Resources Information Center

Patalinghug, Wyona C.; Chang, Maharlika; Solis, Joanne

2007-01-01

The deep blue color of azulene is drastically changed by the addition of substituents such as CH[subscript 3], F, or CHO. Computational semiempirical methods using ZINDO CI are used to model azulene and azulene derivatives and to calculate their UV-vis spectra. The calculated spectra are used to show the trends in absorption band shifts upon…

Quantification of optical absorption coefficient from acoustic spectra in the optical diffusive regime using photoacoustic microscopy

NASA Astrophysics Data System (ADS)

Guo, Zijian; Favazza, Christopher; Wang, Lihong V.

2012-02-01

Photoacoustic (PA) tomography (PAT) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Multi-wavelength PAT can noninvasively monitor hemoglobin oxygen saturation (sO2) with high sensitivity and fine spatial resolution. However, accurate quantification in PAT requires knowledge of the optical fluence distribution, acoustic wave attenuation, and detection system bandwidth. We propose a method to circumvent this requirement using acoustic spectra of PA signals acquired at two optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560 and 575 nm were quantified with errors of ><5%.

Optical absorption and gamma-radiation-shielding parameter studies of Tm3+-doped multicomponent borosilicate glasses

NASA Astrophysics Data System (ADS)

Lakshminarayana, G.; Sayyed, M. I.; Baki, S. O.; Lira, A.; Dong, M. G.; Kaky, Kawa M.; Kityk, I. V.; Mahdi, M. A.

2018-05-01

Different concentrations (0.1‒2.0 mol%) of Tm3+-doped multicomponent borosilicate glasses with 10 mol% Li2O (alkali) or MgO (alkaline) have been synthesized and their optical absorption and radiation shielding features were studied. For both Li2O and MgO series 0.5 mol% Tm3+-doped glass samples, the evaluated Ωλ ( λ = 2, 4, and 6) Judd-Ofelt (JO) intensity parameters from experimental oscillator strengths were used in estimating the radiative transition probabilities ( A R), branching ratios ( β R), and radiative lifetimes ( τ R) for several emission transitions. Using the XCOM software, the mass attenuation coefficients ( µ/ ρ) for all the fabricated glasses were evaluated within the 0.015‒10 MeV energy range. Also, the ( µ/ ρ) values were calculated at 0.356, 0.662, 1.173, and 1.33 MeV photon energies by MCNP5 simulation code and the results were compared with those obtained by XCOM. The ( µ/ ρ) values for Li2O, as well as MgO series glasses, increase with the addition of Tm2O3 and these values for MgO series glasses are slightly higher with respect to Li2O series glasses. From the ( µ/ ρ) values, effective atomic number ( Z eff), half-value layer (HVL), and mean free path (MFP) were calculated and the HVL and MFP results revealed that high-energy photons have more penetration into a glass sample compared to low-energy photons. Further, geometric progression (GP) fitting method was utilized to calculate the exposure buildup factor (EBF) within the 0.015‒15 MeV energy range. The 2.0 mol% Tm2O3-doped glasses show a better ability to attenuate gamma-rays in comparison to other glass samples, so the addition of Tm2O3 content leads to improvement of the shielding efficiency of the prepared glasses.

Optical absorption, luminescence, and energy transfer processes studies for Dy3+/Tb3+-codoped borate glasses for solid-state lighting applications

NASA Astrophysics Data System (ADS)

Lakshminarayana, G.; Kaky, Kawa M.; Baki, S. O.; Lira, A.; Caldiño, U.; Kityk, I. V.; Mahdi, M. A.

2017-10-01

By using melt quenching technique, good optical quality singly doped Dy3+ or Tb3+ and Dy3+/Tb3+-codoped borate glasses were synthesized and studied by optical absorption, excitation, emission and decay lifetimes curve analysis. Following the absorption spectrum, the evaluated Judd-Ofelt (J-O) intensity parameters (Ωλ (λ = 2, 4 and 6)) were used to calculate the transition probability (AR), the branching ratio (βR), and the radiative lifetime (τR) for different luminescent transitions such as 4I15/2 → 6H15/2, 4F9/2 → 6H15/2, 4F9/2 → 6H13/2, 4F9/2 → 6H11/2 and 4F9/2 → 6H9/2,6F11/2 for the 0.5 mol % singly Dy3+-doped glass. The βR calculated (65%) indicates that for lasing applications, 4F9/2 → 6H13/2 emission transition is highly suitable. For all the Dy3+/Tb3+-codoped glasses, Tb3+: 5D3→7F6 emission decay lifetime curves are found to be non-exponential in nature for different concentrations of Dy3+ codoping. Using the Inokuti-Hirayama model, these nonexponential decay curves were analyzed to identify the nature of the energy transfer (ET) processes and here the electric dipole-dipole interaction is dominant for the ET. Based on the excitation and emission spectra and decay lifetimes curve analysis, the cross relaxation and ET processes between Dy3+ and Tb3+ were confirmed. For the 0.5 mol % Tb3+ and 2.0 mol % Dy3+-codoped glass, the evaluated Tb3+→Dy3+ ET efficiency (η) is found to be 45% under 369 nm excitation. Further, for Tb3+/Dy3+ -codoped glasses, an enhancement of Tb3+ green emission is observed up to 1.5 mol % Dy3+ codoping, and this is due to the non-radiative resonant ET from Dy3+ to Tb3+ upon 395 nm excitation. For singly 0.5 mol % Dy3+ or 0.5 mol % Tb3+-doped glass, the calculated color coordinates (x,y) and correlated color temperatures (CCT) represent the neutral white or warm white light regions, whereas Dy3+/Tb3+-codoped glasses (x,y) and CCT values fall in the yellowish green region with respect to the different Dy3

Wavelet based de-noising of breath air absorption spectra profiles for improved classification by principal component analysis

NASA Astrophysics Data System (ADS)

Kistenev, Yu. V.; Shapovalov, A. V.; Borisov, A. V.; Vrazhnov, D. A.; Nikolaev, V. V.; Nikiforova, O. Yu.

2015-11-01

The comparison results of different mother wavelets used for de-noising of model and experimental data which were presented by profiles of absorption spectra of exhaled air are presented. The impact of wavelets de-noising on classification quality made by principal component analysis are also discussed.

Spectroscopic behavior of composition dependent Dy3+ doped alkali fluoroborophosphate glasses

NASA Astrophysics Data System (ADS)

Raj, V. Anthony; Maheshvaran, K.; D'Silva, A. Josuva; Rayappan, I. Arul

2018-04-01

A new series of Dy3+ doped Alkali fluoroborophosphate glasses were prepared following conventional melt quenching technique and characterized using optical absorption and luminescence measurements. The nature of the metal-ligand bonding and the electronic band structure has been investigated using the absorption spectra. The Judd-Oflet (JO) intensity parameters (Ω2, Ω4 and Ω6) were evaluated and the experimental oscillator strength values were also calculated. The luminescence spectra exhibit two visible bands 4F9/2→6H15/2 (Blue) and 4F9/2→6H13/2 (Yellow) respectively. The radiative properties such as peak wavelength and effective band width for the emission transition were calculated. The yellow to blue (Y/B) ratios and color coordinates have been calculated from the luminescence spectra and the utility of the present glasses for white LED applications.

The P K-near edge absorption spectra of phosphates

NASA Astrophysics Data System (ADS)

Franke, R.; Hormes, J.

1995-12-01

The X-ray absorption near edge structure (XANES) at the P K-edge in several orthophosphates with various cations, in condensed, and in substituted sodium phosphates have been measured using synchrotron radiation from the ELSA storage ring at the University of Bonn. The measured spectra demonstrate that chemical changes beyond the PO 4- tetrahedra are reflected by energy shifts of the pre-edge and continuum resonances, by the presence of characteristic shoulders and new peaks and by differences in the intensity of the white line. We discuss the energy differences between the white line positions and the corresponding P ls binding energies as a measure of half of the energy gap. The corresponding values correlate with the valence of the cations and the intensity of the white lines. The energy positions of the continuum resonances are discussed on the basis of an empirical bond-length correlation supporting a 1/ r2 - dependence.

Concentration-dependent studies of Nd3+ -doped zinc phosphate glasses for NIR photoluminescence at 1.05 μm.

PubMed

Reddy Prasad, V; Seshadri, M; Babu, S; Ratnakaram, Y C

2017-05-01

Nd 3 + -doped lead-free zinc phosphate glasses with the chemical compositions (60-x) NH 4 H 2 PO 4  + 20ZnO + 10BaF 2  + 10NaF + xNd 2 O 3 (where x = 0.5, 1.0, 1.5, 2.0 and 2.5 mol%) were prepared using a melt quenching technique. Vibrational bands were assigned and clearly elucidated by Raman spectral profiles for all the glass samples. Judd-Ofelt (J-O) intensity parameters (Ω λ : λ = 2, 4, 6) were obtained from the spectral intensities of different absorption bands of Nd 3 + ions. Radiative properties such as radiative transition probabilities (A R ), radiative lifetimes (τ R ) and branching ratios (β R ) for different excited states were calculated using J-O parameters. The near infrared (NIR) photoluminescence spectra exhibited three emission bands ( 4 F 3 /2 level to 4 I 13 /2 , 4 I 11 /2 and 4 I 9 /2 states) for all the concentrations of Nd 3 + ions. Various luminescence properties were studied by varying the Nd 3 + concentration for the three spectral profiles. Fluorescence decay curves of the 4 F 3 /2 level were recorded. The energy transfer mechanism that leads to quenching of the 4 F 3 /2 state lifetimes was discussed at higher concentration of Nd 3 + ions. These glasses are suggested as suitable hosts to produce efficient lasing action in NIR region at 1.05 μm. Copyright © 2016 John Wiley & Sons, Ltd.

Substituent and solvent effects on the UV/Vis absorption spectra of 5-(4-substituted arylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridones

NASA Astrophysics Data System (ADS)

Ušćumlić, Gordana S.; Mijin, Dusanˇ Z. ˇ; Valentić, Nataša V.; Vajs, Vlatka V.; Sušić, Biljana M.

2004-10-01

Absorption spectra of ten 5-(4-substituted arylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridones have been recorded in fifteen solvents in the range 200-600 nm. The substituents at the phenyl nucleus are as follows: OH, OCH 3, CH 3, C 2H 5, H, Cl, Br, I, COOH and NO 2. The effects of substituents on the absorption spectra of investigated compounds are interpreted by correlation of absorption frequencies with simple Hammett equation. The effects of solvent polarity and solvent/solute hydrogen bonding interactions are analyzed by means of linear solvation energy relationships concept proposed by Kamlet and Taft. The azo-hydrazone tuatomeric equilibration is found to depend upon substituents as well as on solvents.

Artifact suppression in electron paramagnetic resonance imaging of 14N- and 15N-labeled nitroxyl radicals with asymmetric absorption spectra

NASA Astrophysics Data System (ADS)

Takahashi, Wataru; Miyake, Yusuke; Hirata, Hiroshi

2014-10-01

This article describes an improved method for suppressing image artifacts in the visualization of 14N- and 15N-labeled nitroxyl radicals in a single image scan using electron paramagnetic resonance (EPR). The purpose of this work was to solve the problem of asymmetric EPR absorption spectra in spectral processing. A hybrid function of Gaussian and Lorentzian lineshapes was used to perform spectral line-fitting to successfully separate the two kinds of nitroxyl radicals. This approach can process the asymmetric EPR absorption spectra of the nitroxyl radicals being measured, and can suppress image artifacts due to spectral asymmetry. With this improved visualization method and a 750-MHz continuous-wave EPR imager, a temporal change in the distributions of a two-phase paraffin oil and water/glycerin solution system was visualized using lipophilic and hydrophilic nitroxyl radicals, i.e., 2-(14-carboxytetradecyl)-2-ethyl-4,4-dimethyl-3-oxazolidinyloxy (16-DOXYL stearic acid) and 4-hydroxyl-2,2,6,6-tetramethylpiperidine-d17-1-15N-1-oxyl (TEMPOL-d17-15N). The results of the two-phase separation experiment verified that reasonable artifact suppression could be achieved by the present method that deals with asymmetric absorption spectra in the EPR imaging of 14N- and 15N-labeled nitroxyl radicals.

Determining CDOM Absorption Spectra in Diverse Coastal Environments Using a Multiple Pathlength, Liquid Core Waveguide System. Measuring the Absorption of CDOM in the Field Using a Multiple Pathlength Liquid Waveguide System

NASA Technical Reports Server (NTRS)

Miller, Richard L.; Belz, Mathias; DelCastillo, Carlos; Trzaska, Rick

2000-01-01

We evaluated the accuracy, sensitivity and precision of a multiple pathlength, liquid core waveguide (MPLCW) system for measuring colored dissolved organic matter (CDOM) absorption in the UV-visible spectral range (370-700 nm). The MPLCW has four optical paths (2.0, 9.8, 49.3, and 204 cm) coupled to a single Teflon AF sample cell. Water samples were obtained from inland, coastal and ocean waters ranging in salinity from 0 to 36 PSU. Reference solutions for the MPLCW were made having a refractive index of the sample. CDOM absorption coefficients, a(sub CDOM), and the slope of the log-linearized absorption spectra, S, were compared with values obtained using a dual-beam spectrophotometer. Absorption of phenol red secondary standards measured by the MPLCW at 558 nm were highly correlated with spectrophotometer values (r > 0.99) and showed a linear response across all four pathlengths. Values of a(sub CDOM) measured using the MPLCW were virtually identical to spectrophotometer values over a wide range of concentrations. The dynamic range of a(sub CDOM) for MPLCW measurements was 0.002 - 231.5/m. At low CDOM concentrations (a(sub 370) < 0.1/m) spectrophotometric a(sub CDOM) were slightly greater than MPLCW values and showed larger fluctuations at longer wavelengths due to limitations in instrument precision. In contrast, MPLCW spectra followed an exponential to 600 nm for all samples. The maximum deviation in replicate MPLCW spectra was less than 0.001 absorbance units. The portability, sampling, and optical characteristics of a MPLCW system provide significant enhancements for routine CDOM absorption measurements in a broad range of natural waters.

Absorption spectra of adenocarcinoma and squamous cell carcinoma cervical tissues

NASA Astrophysics Data System (ADS)

Ivashko, Pavlo; Peresunko, Olexander; Zelinska, Natalia; Alonova, Marina

2014-08-01

We studied a methods of assessment of a connective tissue of cervix in terms of specific volume of fibrous component and an optical density of staining of connective tissue fibers in the stroma of squamous cancer and cervix adenocarcinoma. An absorption spectra of blood plasma of the patients suffering from squamous cancer and cervix adenocarcinoma both before the surgery and in postsurgical periods were obtained. Linear dichroism measurements transmittance in polarized light at different orientations of the polarization plane relative to the direction of the dominant orientation in the structure of the sample of biotissues of stroma of squamous cancer and cervix adenocarcinoma were carried. Results of the investigation of the tumor tissues showed that the magnitude of the linear dichroism Δ is insignificant in the researched spectral range λ=280-840 nm and specific regularities in its change observed short-wave ranges.

Studies on electronic spectral parameters of doped Nd(III) ion with therapeutically important ligands in dioxane solvent

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bajaj, Annu, E-mail: annu.bajaj11@gmail.com; Jain, Sushma

2016-05-06

The present investigation is concerened with the studies on electronic spectral parameters viz. Oscillator strength (P), Judd-Ofelt T{sub λ} (λ=2,4,6), Slater-Condon(F{sub K}),Lande(ζ{sub 4F}),Nephelauxetic ratio(β), Bonding parameter (b{sup 1/2}) and Percent covalency parameter (δ%) for Nd(III) ion complexes with the ligands having Nitrogen,Oxygen Sulphur donor sites.The variation in the values of oscillator strength explicitly shows the relative sensitivities of the 4f-4f transition as well as the specific correlation between ligand structures and nature of Nd(III) ligand interaction.

UV-Vis absorption spectra and electronic structure of merocyanines in the gas phase

NASA Astrophysics Data System (ADS)

Ishchenko, Alexander A.; Kulinich, Andrii V.; Bondarev, Stanislav L.; Raichenok, Tamara F.

2018-02-01

Gas-phase absorption spectra of a merocyanine vinylogous series have been studied for the first time. In vapour, their long-wavelength absorption bands were found to be considerably shifted hypsochromically, broader, more symmetrical, less intense, and their vinylene shift much smaller than even in low-polarity n-hexane. This indicates that in the gas phase their electronic structure closely approaches the nonpolar polyene limiting structure. The TDDFT calculations of the long-wavelength electronic transitions in the studied merocyanines in vacuo demonstrated good-to-excellent correlation - depending on the functional used - with the obtained experimental data. For comparison, the solvent effects was accounted for using the polarizable continuum model (PCM) with n-hexane and ethanol as low-polarity and high-polarity media, and compared with the UV-Vis spectral data in these solvents. In this case, the discrepancy between theory and experiment was much greater, increasing at that with the polymethine chain length.

Narrow C IV absorption doublets on quasar spectra of the Baryon Oscillation Spectroscopic Survey

NASA Astrophysics Data System (ADS)

Chen, Zhi-Fu; Gu, Qiu-Sheng; Zhou, Luwenjia; Chen, Yan-Mei

2016-11-01

In this paper, we extend our work of Papers I and II, which are assigned to systematically survey C IV λλ1548,1551 narrow absorption lines (NALs) with zabs ≪ zem on quasar spectra of the Baryon Oscillation Spectroscopic Survey (BOSS) to collect C IV NALs with zabs ≈ zem from blue to red wings of C IV λ1549 emission lines. Together with Papers I and II, we have collected a total number of 41 479 C IV NALs with 1.4544 ≤ zabs ≤ 4.9224 in surveyed spectral region redward of Lyα until red wing of C IV λ1549 emission line. We find that the stronger C IV NALs tend to be the more saturated absorptions, and associated systems (zabs ≈ zem) seem to have larger absorption strengths when compared to intervening ones (zabs ≪ zem). The redshift density evolution behaviour of absorbers (the number of absorbers per redshift path) is similar to the history of the cosmic star formation. When compared to the quasar-frame velocity (β) distribution of Mg II absorbers, the β distribution of C IV absorbers is broader at β ≈ 0, shows longer extended tail, and exhibits a larger dispersion for environmental absorptions. In addition, for associated C IV absorbers, we find that low-luminosity quasars seem to exhibit smaller β and stronger absorptions when compared to high-luminosity quasars.

Temperature dependence of the optical absorption spectra of InP/ZnS quantum dots

NASA Astrophysics Data System (ADS)

Savchenko, S. S.; Vokhmintsev, A. S.; Weinstein, I. A.

2017-03-01

The optical-absorption spectra of InP/ZnS (core/shell) quantum dots have been studied in a broad temperature range of T = 6.5-296 K. Using the second-order derivative spectrophotometry technique, the energies of optical transitions at room temperature were found to be E 1 = 2.60 ± 0.02 eV (for the first peak of excitonic absorption in the InP core) and E 2 = 4.70 ± 0.02 eV (for processes in the ZnS shell). The experimental curve of E 1( T) has been approximated for the first time in the framework of a linear model and in terms of the Fan's formula. It is established that the temperature dependence of E 1 is determined by the interaction of excitons and longitudinal acoustic phonons with hω = 15 meV.

On the origin of a very close similarity between the spectra of the supernova type 1 in NGC 3198 and the absorption of DQ HeR

NASA Technical Reports Server (NTRS)

Mustel, E. R.

1979-01-01

The type 1 supernova discovered late in 1966 in NGC 3198 has broad minima in its spectrum break down into a number of significantly narrower absorption bands. The broad minima of tau, sigma and mu, which usually show no details in the spectra of type supernovas, contain a number of narrow absorption bands. The reality of most of these absorption bands is demonstrated by comparison of recordings of spectra of the supernova presented for two moments in time. These minima (particularly of tau and mu,) are a result of blending of several broad absorption bands. The minimum of tau should be a blend of intensive and very broad Fe absorption lines, in which the lower level is metastable. The wavelengths of these line are: 5169, 5198, 5235, 5276, 5317, 5363A.

Path integral Monte Carlo study on the structure and absorption spectra of alkali atoms (Li, Na, K) attached to superfluid helium clusters

NASA Astrophysics Data System (ADS)

Nakayama, Akira; Yamashita, Koichi

2001-01-01

Path integral Monte Carlo calculations have been performed to investigate the microscopic structure and thermodynamic properties of the AkṡHeN (Ak=Li, Na, K,N⩽300) clusters at T=0.5 K. Absorption spectra which correspond to the 2P←2S transitions of alkali atoms are also calculated within a pairwise additive model, which employs diatomic Ak-He potential energy curves. The size dependences of the cluster structure and absorption spectra that show the influence of the helium cluster environment are examined in detail. It is found that alkali atoms are trapped in a dimple on the helium cluster's surface and that, from the asymptotic behavior, the AkṡHe300 cluster, at least semiquantitatively, mimics the local structure of experimentally produced large helium clusters in the vicinity of alkali atoms. We have successfully reproduced the overall shapes of the spectra and explained their features from a static and structural point of view. The positions, relative intensities, and line widths of the absorption maxima are calculated to be in moderate agreement with experiments [F. Stienkemeier, J. Higgins, C. Callegari, S. I. Kanorsky, W. E. Ernst, and G. Scoles, Z. Phys. D 38, 253 (1996)].

Transition metal atomic multiplets in the ligand K-edge x-ray absorption spectra and multiple oxidation states in the L2,3 emission of strongly correlated compounds

NASA Astrophysics Data System (ADS)

Jiménez-Mier, J.; Olalde-Velasco, P.; Yang, W.-L.; Denlinger, J.

2014-07-01

We present results that show that atomic multiplet ligand field calculations are in very good agreement with experimental x-ray absorption spectra at the L2,3 edge of transition metal (TM) di-fluorides (MF2, MCrCu). For chromium more than one TM oxidation state is needed to achieve such an agreement. We also show that signature of the TM atomic multiplet can be found at the pre-edge of the fluorine K-edge x-ray absorption spectra. TM atomic multiplet ligand field calculations with a structureless core hole show good agreement with the observed pre-edges in the experimental fluorine absorption spectra. Preliminary results for the comparison between calculated and experimental resonant x-ray emission spectra for nominal CrF2 with more than one oxidation state indicate the presence of three chromium oxidation states in the bulk.

Ground-based Photon Path Measurements from Solar Absorption Spectra of the O2 A-band

NASA Technical Reports Server (NTRS)

Yang, Z.; Wennberg, P. O.; Cageao, R. P.; Pongetti, T. J.; Toon, G. C.; Sander, S. P.

2005-01-01

High-resolution solar absorption spectra obtained from Table Mountain Facility (TMF, 34.38degN, 117.68degW, 2286 m elevation) have been analyzed in the region of the O2 A-band. The photon paths of direct sunlight in clear sky cases are retrieved from the O2 absorption lines and compared with ray-tracing calculations based on the solar zenith angle and surface pressure. At a given zenith angle, the ratios of retrieved to geometrically derived photon paths are highly precise (approx.0.2%), but they vary as the zenith angle changes. This is because current models of the spectral lineshape in this band do not properly account for the significant absorption that exists far from the centers of saturated lines. For example, use of a Voigt function with Lorentzian far wings results in an error in the retrieved photon path of as much as 5%, highly correlated with solar zenith angle. Adopting a super-Lorentz function reduces, but does not completely eliminate this problem. New lab measurements of the lineshape are required to make further progress.

Analysis of Atmospheric Trace Constituents from High Resolution Infrared Balloon-Borne and Ground-Based Solar Absorption Spectra

NASA Technical Reports Server (NTRS)

Goldman, A.; Murcray, F. J.; Rinsland, C. P.; Blatherwick, R. D.; Murcray, F. H.; Murcray, D. G.

1991-01-01

Recent results and ongoing studies of high resolution solar absorption spectra will be presented. The analysis of these spectra is aimed at the identification and quantification of trace constituents important in atmospheric chemistry of the stratosphere and upper troposphere. Analysis of balloon-borne and ground-based spectra obtained at 0.0025/ cm covering the 700-2200/ cm interval will be presented. Results from ground-based 0.02/ cm solar spectra, from several locations such as Denver, South Pole, M. Loa, and New Zealand will also be shown. The 0.0025/ cm spectra show many new spectroscopic features. The analysis of these spectra, along with corresponding laboratory spectra, improves the spectral line parameters, and thus the accuracy of trace constituents quantification. The combination of the recent balloon flights, with earlier flights data since 1978 at 0.02/ cm resolution, provides trends analysis of several stratospheric trace species. Results for COF2, F22, SF6, and other species will be presented. Analysis of several ground-based solar spectra provides trends for HCl, HF and other species. The retrieval methods used for total column density and altitude distribution for both ground-based and balloon-borne spectra will be presented. These are extended for the analysis of the ground-based spectra to be obtained by the high resolution interferometers of the Network for Detection of Stratospheric Change (NDSC). Progress or the University of Denver studies for the NDSC will be presented. This will include intercomparison of solar spectra and trace gases retrievals obtained from simultaneous scans by the high resolution (0.0025/ cm) interferometers of BRUKER and BOMEM.

Absorption and fluorescence spectra of heterocyclic isomers from long-range-corrected density functional theory in polarizable continuum approach.

PubMed

Kityk, Andriy V

2012-03-22

Long-range-corrected (LC) DFT/TDDFT methods may provide adequate description of ground and excited state properties; however, accuracy of such an approach depends much on a range separation (exchange screening) representing adjustable model parameter. Its relation to a size or specific of molecular systems has been explored in numerous studies, whereas the effect of solvent environment is usually ignored during the evaluation of state properties. To benchmark and assess the quality of the LC-DFT/TDDFT formalism, we report the optical absorption and fluorescence emission energies of organic heterocyclic isomers, DPIPQ and PTNA, calculated by LC-BLYP DFT/TDDFT method in the polarizable continuum (PCM) approach. The calculations are compared with the optical absorption and fluorescence spectra measured in organic solvents of different polarity. Despite a considerable structural difference, both dyes exhibit quite similar range separations being somewhat different for the optical absorption and fluorescence emission processes. Properly parametrized LC-BLYP xc-potential well reproduces basic features of the optical absorption spectra including the electronic transitions to higher excited states. The DFT/TDDFT/PCM analysis correctly predicts the solvation trends although solvatochromic shifts of the electronic transition energies appear to be evidently underestimated in most cases, especially for the fluorescence emission. Considering the discrepancy between the experiment and theory, evaluated state dipole moments and solvation corrections to the exchange screening are analyzed. The results of the present study emphasize the importance of a solvent-dependent range separation in DFT/TDDFT/PCM calculations for investigating excited state properties. © 2012 American Chemical Society

Using of laser spectroscopy and chemometrics methods for identification of patients with lung cancer, patients with COPD and healthy people from absorption spectra of exhaled air

NASA Astrophysics Data System (ADS)

Bukreeva, Ekaterina B.; Bulanova, Anna A.; Kistenev, Yury V.; Kuzmin, Dmitry A.; Nikiforova, Olga Yu.; Ponomarev, Yurii N.; Tuzikov, Sergei A.; Yumov, Evgeny L.

2014-11-01

The results of application of the joint use of laser photoacoustic spectroscopy and chemometrics methods in gas analysis of exhaled air of patients with chronic respiratory diseases (chronic obstructive pulmonary disease and lung cancer) are presented. The absorption spectra of exhaled breath of representatives of the target groups and healthy volunteers were measured; the selection by chemometrics methods of the most informative absorption coefficients in scan spectra in terms of the separation investigated nosology was implemented.

Vibrationally high-resolved electronic spectra of MCl2 (M=C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2(.).

PubMed

Ran, Yibin; Pang, Min; Shen, Wei; Li, Ming; He, Rongxing

2016-10-05

We systematically studied the vibrational-resolved electronic spectra of group IV dichlorides using the Franck-Condon approximation combined with the Duschinsky and Herzberg-Teller effects in harmonic and anharmonic frameworks (only the simulation of absorption spectra includes the anharmonicity). Calculated results showed that the band shapes of simulated spectra are in accordance with those of the corresponding experimental or theoretical ones. We found that the symmetric bend mode in progression of absorption is the most active one, whereas the main contributor in photoelectron spectra is the symmetric stretching mode. Moreover, the Duschinsky and anharmonic effects exert weak influence on the absorption spectra, except for PbCl2 molecule. The theoretical insights presented in this work are significant in understanding the photophysical properties of MCl2 (M=C, Si, Ge, Sn, Pb) and studying the Herzberg-Teller and the anharmonic effects on the absorption spectra of new dichlorides of this main group. Copyright © 2016 Elsevier B.V. All rights reserved.

Disentangling atomic-layer-specific x-ray absorption spectra by Auger electron diffraction spectroscopy

NASA Astrophysics Data System (ADS)

Matsui, Fumihiko; Matsushita, Tomohiro; Kato, Yukako; Hashimoto, Mie; Daimon, Hiroshi

2009-11-01

In order to investigate the electronic and magnetic structures of each atomic layer at subsurface, we have proposed a new method, Auger electron diffraction spectroscopy, which is the combination of x-ray absorption spectroscopy (XAS) and Auger electron diffraction (AED) techniques. We have measured a series of Ni LMM AED patterns of the Ni film grown on Cu(001) surface for various thicknesses. Then we deduced a set of atomic-layer-specific AED patterns in a numerical way. Furthermore, we developed an algorithm to disentangle XANES spectra from different atomic layers using these atomic-layer-specific AED patterns. Surface and subsurface core level shift were determined for each atomic layer.

Dynamics of intramolecular electron transfer reaction of FAD studied by magnetic field effects on transient absorption spectra.

PubMed

Murakami, Masaaki; Maeda, Kiminori; Arai, Tatsuo

2005-07-07

The kinetics of intermediates generated from intramolecular electron-transfer reaction by photo irradiation of the flavin adenine dinucleotide (FAD) molecule was studied by a magnetic field effect (MFE) on transient absorption (TA) spectra. Existence time of MFE and MFE action spectra have a strong dependence on the pH of solutions. The MFE action spectra have indicated the existence of interconversion between the radical pair and the cation form of the triplet excited state of flavin part. All rate constants of the triplet and the radical pair were determined by analysis of the MFE action spectra and decay kinetics of TA. The obtained values for the interconversion indicate that the formation of cation radical promotes the back electron-transfer reaction to the triplet excited state. Further, rate constants of spin relaxation and recombination have been studied by the time profiles of MFE at various pH. The drastic change of those two factors has been obtained and can be explained by SOC (spin-orbit coupling) induced back electron-transfer promoted by the formation of a stacking conformation at pH > 2.5.

DFT study of electron absorption and emission spectra of pyramidal LnPc(OAc) complexes of some lanthanide ions in the solid state

NASA Astrophysics Data System (ADS)

Hanuza, J.; Godlewska, P.; Lisiecki, R.; Ryba-Romanowski, W.; Kadłubański, P.; Lorenc, J.; Łukowiak, A.; Macalik, L.; Gerasymchuk, Yu.; Legendziewicz, J.

2018-05-01

The electron absorption and emission spectra were measured for the pyramidal LnPc(OAc) complexes in the solid state and co-doped in silica glass, where Ln = Er, Eu and Ho. The theoretical electron spectra were determined from the quantum chemical DFT calculation using four approximations CAM-B3LYP/LANL2DZ, CAM-B3LYP/CC-PVDZ, B3LYP/LANL2DZ and B3LYP/CC-PVDZ. It was shown that the best agreement between the calculated and experimental structural parameters and spectroscopic data was reached for the CAM-B3LYP/LANL2DZ model. The emission spectra were measured using the excitations both in the ligand and lanthanide absorption ranges. The possibility of energy transfer between the phthalocyanine ligand and excited states of lanthanide ions was discussed. It was shown that the back energy transfer from metal states to phthalocyanine state is responsible for the observed emission of the studied complexes both in the polycrystalline state and silica glass.

Electronic structure of some adenosine receptor antagonists. III. Quantitative investigation of the electronic absorption spectra of alkyl xanthines

NASA Astrophysics Data System (ADS)

Moustafa, H.; Shalaby, Samia H.; El-sawy, K. M.; Hilal, Rifaat

2002-07-01

Quantitative and comparative investigation of the electronic absorption spectra of theophylline, caffeine and their derivatives is reported. The spectra of theophylline, caffeine and theobromine were compared to establish the predominant tautomeric species in solution. This comparison, analysis of solvent effects and assignments of the observed transitions via MO computations indicate the exits of only one tautomeric species in solution that is the N7 form. A low-lying triplet state was identified which corresponds to a HOMO-LUMO transition. This relatively long-lived T 1 state is always less polar than the ground state and may very well underlie the photochemical reactivity of alkyl xanthines. Substituents of different electron donating or withdrawing strengths and solvent effects are investigated and analyzed. The present analysis is facilitated via computer deconvolution of the observed spectra and MO computation.

The absorption- and luminescence spectra of Mn3+ in beryl and vesuvianite

NASA Astrophysics Data System (ADS)

Czaja, Maria; Lisiecki, Radosław; Chrobak, Artur; Sitko, Rafał; Mazurak, Zbigniew

2018-05-01

The electron absorption-, photoluminescence- and electron paramagnetic-resonance spectra of Mn3+ in red beryl from Wah Wah Mountains (Utah USA) and of pink- and purple vesuvianite from Jeffrey Mine (Asbestos, Canada) were measured at room- and low temperatures. The crystal field stabilization energies are equal to 130.9 kJ/mol for the red beryl, and 151.5-158.0 and 168.0 kJ/mol for for the pink- and the purple vesuvianite, respectively. The red photoluminescence of Mn3+ was not intensive either at room- or at low temperatures. The high Mn content in the crystals caused the emergence of an additional emission band and short photoluminescence-decay lifetimes. The latter are only 183 μs for beryl and 17 μs for vesuvianite.

The absorption- and luminescence spectra of Mn3+ in beryl and vesuvianite

NASA Astrophysics Data System (ADS)

Czaja, Maria; Lisiecki, Radosław; Chrobak, Artur; Sitko, Rafał; Mazurak, Zbigniew

2017-12-01

The electron absorption-, photoluminescence- and electron paramagnetic-resonance spectra of Mn3+ in red beryl from Wah Wah Mountains (Utah USA) and of pink- and purple vesuvianite from Jeffrey Mine (Asbestos, Canada) were measured at room- and low temperatures. The crystal field stabilization energies are equal to 130.9 kJ/mol for the red beryl, and 151.5-158.0 and 168.0 kJ/mol for for the pink- and the purple vesuvianite, respectively. The red photoluminescence of Mn3+ was not intensive either at room- or at low temperatures. The high Mn content in the crystals caused the emergence of an additional emission band and short photoluminescence-decay lifetimes. The latter are only 183 μs for beryl and 17 μs for vesuvianite.

Electronic Absorption and MCD Spectra for Pd(AuPPh(3))(8)(2+), Pt(AuPPh(3))(8)(2+), and Related Platinum-Centered Gold Cluster Complexes.

PubMed

Adrowski, Michael J.; Mason, W. Roy

1997-03-26

Electronic absorption and 7.0 T magnetic circular dichroism (MCD) spectra in the UV-vis region, 1.6 to approximately 4.0 &mgr;m(-)(1) (1 &mgr;m(-)(1) = 10(4) cm(-)(1)) are reported for [Pd(AuPPh(3))(8)](NO(3))(2) and [Pt(AuPPh(3))(8)](NO(3))(2) in acetonitrile solutions at room temperature. The MCD spectra are better resolved than the absorption spectra and consist of both A and B terms. The spectra are interpreted in terms of D(4)(d)() skeletal geometry and MO's that are approximated by 5s and 6s orbitals for Pd and Pt/Au atoms, respectively. The lowest energy excited configurations and states are attributed to intraframework (IF) Au(8)(2+) transitions. Evidence is also presented for Pt 5d --> Au 6s transitions in the MCD spectra for Pt(AuPPh(3))(8)(2+). Acetonitrile solution absorption and MCD spectra for the related Pt-centered cluster complexes [Pt(CO)(AuPPh(3))(8)](NO(3))(2), [Pt(AuP(p-tolyl)(3))(8)](NO(3))(2), [Pt(CuCl)(AuPPh(3))(8)](NO(3))(2), [Pt(AgNO(3))(AuPPh(3))(8)](NO(3))(2), [Pt(Hg)(2)(AuPPh(3))(8)](NO(3))(2), [Pt(HgCl)(2)(AuPPh(3))(8)](BF(4))(2), and [Pt(HgNO(3))(2)(AuPPh(3))(8)](BF(4))(2) are also reported and interpreted within the context of the model developed for the M(AuPPh(3))(8)(2+) complexes.

X-ray K-edge absorption spectra of Fe minerals and model compounds: II. EXAFS

NASA Astrophysics Data System (ADS)

Waychunas, Glenn A.; Brown, Gordon E.; Apted, Michael J.

1986-01-01

K-edge extended X-ray absorption fine structure (EXAFS) spectra of Fe in varying environments in a suite of well-characterized silicate and oxide minerals were collected using synchrotron radiation and analyzed using single scattering approximation theory to yield nearest neighbor Fe-O distances and coordination numbers. The partial inverse character of synthetic hercynite spinal was verified in this way. Comparison of the results from all samples with structural data from X-ray diffraction crystal structure refinements indicates that EXAFS-derived first neighbor distances are generally accurate to ±0.02 Å using only theoretically generated phase information, and may be improved over this if similar model compounds are used to determine EXAFS phase functions. Coordination numbers are accurate to ±20 percent and can be similarly improved using model compound EXAFS amplitude information. However, in particular cases the EXAFS-derived distances may be shortened, and the coordination number reduced, by the effects of static and thermal disorder or by partial overlap of the longer Fe-O first neighbor distances with second neighbor distances in the EXAFS structure function. In the former case the total information available in the EXAFS is limited by the disorder, while in the latter case more accurate results can in principle be obtained by multiple neighbor EXAFS analysis. The EXAFS and XANES spectra of Fe in Nain, Labrador osumulite and Lakeview, Oregon plagioclase are also analyzed as an example of the application of X-ray absorption spectroscopy to metal ion site occupation determination in minerals.

White light emission of dysprosium doped lanthanum calcium phosphate oxide and oxyfluoride glasses

NASA Astrophysics Data System (ADS)

Luewarasirikul, N.; Kim, H. J.; Meejitpaisan, P.; Kaewkhao, J.

2017-04-01

Lanthanum calcium phosphate oxide and oxyfluoride glasses doped with dysprosium oxide were prepared by melt-quenching technique with chemical composition 20La2O3:10CaO:69P2O5:1Dy2O3 and 20La2O3:10CaF2:69P2O5:1Dy2O3. The physical, optical and luminescence properties of the glass samples were studied to evaluate their potential to using as luminescence materials for solid-state lighting applications. The density, molar volume and refractive index of the glass samples were carried out. The optical and luminescence properties were studied by investigating absorption, excitation, and emission spectra of the glass samples. The absorption spectra were investigated in the UV-Vis-NIR region from 300 to 2000 nm. The excitation spectra observed under 574 nm emission wavelength showed the highest peak centered at 349 nm (6H15/2 → 6P7/2). The emission spectra, excited with 349 nm excitation wavelength showed two major peaks corresponding to 482 nm blue emission (4F9/2 → 6H15/2) and 574 nm yellow emission (4F9/2 → 6H13/2). The experimental lifetime were found to be 0.539 and 0.540 for oxide and oxyfluoride glass sample, respectively. The x,y color coordinates under 349 nm excitation wavelength were (0.38, 0.43) for both glass samples, that be plotted in white region of CIE 1931 chromaticity diagram. The CCT values obtained from the glass samples are 4204 K for oxide glass and 4228 K for oxyfluoride glass corresponding to the commercial cool white light (3100-4500 K). Judd-Ofelt theory had also been employed to obtain the J-O parameters (Ω2, Ω4 and Ω6), oscillator strength, radiative transition possibility, stimulated emission cross section and branching ratio. The Ω2 > Ω4 > Ω6 trend of J-O parameters of both glass samples may indicate the good quality of a glass host for using as optical device application. Temperature dependence of emission spectra was studied from 300 K to 10 K and found that the intensity of the emission peak was found to be increased with

Synthesis and Optical Spectroscopy of YPO4:Eu3+ Orange-Red Phosphors

NASA Astrophysics Data System (ADS)

Yahiaoui, Z.; Hassairi, M. A.; Dammak, M.

2017-08-01

YPO4: x mol.% Eu3+ phosphors with different dopant concentrations ( x = 3, 5, 8, 11, 13) have been synthesized via high-temperature solid-state reaction. X-ray diffraction analysis and Raman and infrared (IR) spectroscopy were applied for detailed structural characterization. Under excitation at wavelength of 395 nm, the photoluminescence spectra displayed the 5D0 → 7F J ( J = 1, 2, 3, 4) intra-4 f shell transitions related to Eu3+ ion. The radiative lifetime was estimated using the Ω 2 and Ω 4 Judd-Ofelt intensity parameters. The highest luminescence intensity was achieved for an optimal europium concentration of 11 mol.%. The critical energy-transfer distance for Eu3+ ions was evaluated to be 10.74 Å. We also studied the temperature-dependent photoluminescence and Commission Internationale de l'Éclairage chromaticity diagram. It was found that Eu3+-doped YPO4 exhibited good thermal stability and its emission intensity decreased slightly above room temperature. In addition, the color purity of this phosphor was as high as 91% for the YPO4:13% Eu3+ sample, making it a potential orange-red phosphor for application in ultraviolet-pumped white light-emitting diodes.

Novel EGCG assisted ultrasound synthesis of self-assembled Ca2SiO4:Eu(3+) hierarchical superstructures: Photometric characteristics and LED applications.

PubMed

Venkataravanappa, M; Nagabhushana, H; Darshan, G P; Daruka Prasad, B; Vijayakumar, G R; Premkumar, H B; Udayabhanu

2016-11-01

This paper reports for the first time ultrasound, EGCG assisted synthesis of pure and Eu(3+) (1-5mol%) activated Ca2SiO4 nanophosphors having self-assembled superstructures with high purity. The shape, size and morphology of the product were tuned by controlling influential parameters. It was found that morphology was highly dependent on EGCG concentration, sonication time, pH and sonication power. The probable formation mechanism for various hierarchical superstructures was proposed. The PL studies of Ca2SiO4:Eu(3+) phosphors can be effectively excited by the near ultraviolet (UV) (396nm) light and exhibited strong red emission around 613nm, which was attributed to the Eu(3+) ((5)D0→(7)F2) transition. The concentration quenching phenomenon was explained based on energy transfer between defect and Eu(3+) ions, electron-phonon coupling and Eu(3+)-Eu(3+) interaction. The Judd-Ofelt intensity parameters and radiative properties were estimated by using PL emission spectra. The photometric studies indicate that the obtained phosphors could be a promising red component for possible applications in the field of white light emitting diodes. Copyright © 2016 Elsevier B.V. All rights reserved.

Intense green emission from Tb3+- doped Teo2-Wo3-Geo2 glasses

NASA Astrophysics Data System (ADS)

Subrahmanyam, Tallam; Gopal, Kotalo Rama; Suvarna, Reniguntla Padma; Jamalaiah, Bungala Chinna

2018-04-01

Tb3+ -doped oxyfluoro tellurite (TWGTb) glasses were prepared by conventional melt quenching technique. The Judd-Ofelt theory has been applied to evaluate the Ωλ (λ=2,4,6) intensity parameters. The TWGTb glasses exhibit 5D3 → 7F5-3 and 5D4 → 7F6-0 transitions when excited at 316 nm wavelength. The variation of intensity of 5D4 → 7F5 (Green) and 5D3 → 7F4 (Blue) transitions and the green to blue (IG/IB) intensity ratios were studied as a function of Tb3+ ions concentration. The laser characteristic parameters such as effective bandwidth (Δλeff), stimulated emission cross-section (σe), gain bandwidth (σe×Δλeff) and optical gain (σe×τR) were determined using the emission spectra and radiative parameters. The luminescence decay profiles exhibit single-exponential nature for all the samples. Based on the experimental results we suggest that the 1.0 mol% of Tb3+-doped TWGTb glass could be the suitable laser host materials to emit intense green luminescence at 545 nm.

A search for formic acid in the upper troposphere - A tentative identification of the 1105-per cm nu-6 band Q branch in high-resolution balloon-borne solar absorption spectra

NASA Technical Reports Server (NTRS)

Goldman, A.; Murcray, F. H.; Murcray, D. G.; Rinsland, C. P.

1984-01-01

Infrared solar absorption spectra recorded at 0.02-per cm resolution during a balloon flight from Alamogordo, NM (33 deg N), on March 23, 1981, have been analyzed for the possible presence of absorption by formic acid (HCOOH). An absorption feature at 1105 per cm has been tentatively identified in upper tropospheric spectra as due to the nu-6 band Q branch. A preliminary analysis indicates a concentration of about 0.6 ppbv and 0.4 ppbv near 8 and 10 km, respectively.

Spectroscopic and energy transfer behavior of Dy3+ ions in B2O3sbnd TeO2sbnd PbOsbnd PbF2sbnd Bi2O3sbnd CdO glasses for laser and WLED applications

NASA Astrophysics Data System (ADS)

Arunkumar, S.; Venkataiah, G.; Marimuthu, K.

2015-02-01

A new series of white light emitting Dy3+ doped Lead tellurofluoroborate glasses have been prepared and their spectroscopic and energy transfer behavior were explored through analyzing XRD, FTIR, Raman, SEM, EDAX, optical absorption, photoluminescence and lifetime measurements. The fundamental stretching of the various borate and tellurite networks were identified using FTIR and Raman spectral analysis. The bonding parameter studies reveal the ionic nature of the Dysbnd O bond in the present glasses. The Judd-Ofelt (JO) intensity parameters determined from the absorption spectra have been used to investigate the nature of bonding and symmetry orientation of the Dy-ligand field environment. The luminescence intensity increases with increasing Dy3+ ion concentration up to 0.5 wt%, beyond that luminescence quenching is observed. The JO parameters have been used to determine the transition probability (A), stimulated emission cross-section (σPE), radiative lifetime (τR) and branching ratios (βR) for the different emission transitions from the 4F9/2 excited level. The higher σPE and βR values of the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions suggest the possible laser action in the visible region. The Y/B ratio, CIE chromaticity color coordinates (x, y) and Color correlated temperature (CCT) were also estimated from the luminescence spectra for different concentration as well as pumping wavelengths. The x, y chromaticity color coordinates fall within the white light region and the white light can be tuned by varying the excitation wavelengths. The lifetime of the 4F9/2 excited state were measured and is found to decrease with increasing Dy3+ ion content. The non-exponential behavior is predominant in higher Dy3+ ion content glasses and is due to the efficient energy transfer between Dy3+sbnd Dy3+ ions. The decay curves were fitted to the Inokuti-Hirayama (IH) model to understand the nature of energy transfer. Among the prepared glasses, 0.5DPTFB glass

The Intervening Galaxies Hypothesis of the Absorption Spectra of Quasi-Stellar Objects: Some Statistical Studies

NASA Astrophysics Data System (ADS)

Duari, Debiprosad; Narlikar, Jayant V.

This paper examines, in the light of the available data, the hypothesis that the heavy element absorption line systems in the spectra of QSOs originate through en-route absorption by intervening galaxies, halos etc. Several statistical tests are applied in two different ways to compare the predictions of the intervening galaxies hypothesis (IGH) with actual observations. The database is taken from a recent 1991 compilation of absorption line systems by Junkkarinen, Hewitt and Burbidge. Although, prima facie, a considerable gap is found between the predictions of the intervening galaxies hypothesis and the actual observations despite inclusion of any effects of clustering and some likely selection effects, the gap narrows after invoking evolution in the number density of absorbers and allowing for the incompleteness and inhomogeneity of samples examined. On the latter count the gap might be bridgeable by stretching the parameters of the theory. It is concluded that although the intervening galaxies hypothesis is a possible natural explanation to account for the absorption line systems and may in fact do so in several cases, it seems too simplistic to be able to account for all the available data. It is further stressed that the statistical techniques described here will be useful for future studies of complete and homogenous samples with a view to deciding the extent of applicability of the IGH.

Sharp Absorption Peaks in THz Spectra Valuable for Crystal Quality Evaluation of Middle Molecular Weight Pharmaceuticals

NASA Astrophysics Data System (ADS)

Sasaki, Tetsuo; Sakamoto, Tomoaki; Otsuka, Makoto

2018-05-01

Middle molecular weight (MMW) pharmaceuticals (MW 400 4000) are attracting attention for their possible use in new medications. Sharp absorption peaks were observed in MMW pharmaceuticals at low temperatures by measuring with a high-resolution terahertz (THz) spectrometer. As examples, high-resolution THz spectra for amoxicillin trihydrate, atorvastatin calcium trihydrate, probucol, and α,β,γ,δ-tetrakis(1-methylpyridinium-4-yl)porphyrin p-toluenesulfonate (TMPyP) were obtained at 10 K. Typically observed as peaks with full width at half-height (FWHM) values as low as 5.639 GHz at 0.96492 THz in amoxicillin trihydrate and 8.857 GHz at 1.07974 THz for probucol, many sharp peaks of MMW pharmaceuticals could be observed. Such narrow absorption peaks enable evaluation of the crystal quality of MMW pharmaceuticals and afford sensitive detection of impurities.

Synthesis and evaluation of changes induced by solvent and substituent in electronic absorption spectra of some azo disperse dyes

NASA Astrophysics Data System (ADS)

Mohammadi, Asadollah; Yazdanbakhsh, Mohammad Reza; Farahnak, Lahya

2012-04-01

Five azo disperse dyes were prepared by diazotizing 4'-aminoacetophenone and p-anisidine and coupling with varies N-alkylated aromatic amines. Characterization of the dyes was carried out by using UV-vis, FTIR and 1H NMR spectroscopic techniques. The electronic absorption spectra of dyes are determined at room temperature in fifteen solvents with different polarities. The solvent dependent maximum absorption band shifts, were investigated using dielectric constant (ɛ), refractive index (n) and Kamlet-Taft polarity parameters (hydrogen bond donating ability (α), hydrogen bond accepting ability (β) and dipolarity/polarizability polarity scale (π*)). Acceptable agreement was found between the maximum absorption band of dyes and solvent polarity parameters especially with π*. The effect of substituents of coupler and/or diazo component on the color of dyes was investigated. The effects of acid and base on the visible absorption maxima of the dyes are also reported.

Broadband ∼3 μm mid-infrared emission in Dy3+/Yb3+ co-doped germanate glasses

NASA Astrophysics Data System (ADS)

Shen, Lingling; Wang, Ning; Dou, Aoju; Cai, Yangjian; Tian, Ying; Huang, Feifei; Xu, Shiqing; Zhang, Junjie

2018-01-01

The Dy3+/Yb3+ co-doped germanate glasses with good thermal stability have been prepared by the conventional melt quenching method. The J-O intensity parameters and radiative properties such as spontaneous transition probilities (Arad), fluorescence branching ratios (β) and radiative lifetimes (τrad) were investigated according to the absorption spectrum based on Judd-Ofelt theory. An intense emission around ∼3 μm with the FWHM reaching to 322 nm was obtained in present glasses excited by 980 nm LD. The high spontaneous transition probability (63.94 s-1), large emission cross section (6.0 × 10-21 cm2) and superior gain performance corresponding to the Dy3+: 6H13/2 → 6H15/2 transition were obtained. Moreover, the energy transfer mechanism was analyzed qualitatively, and it was found that the energy transfer from Yb3+: 2F5/2 to Dy3+: 6H5/2 level could be quite efficient. Hence, the results indicated that the prepared Dy3+/Yb3+ co-doped germanate glass could be a potential candidate for ∼3 μm mid-infrared solid state lasers.

Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework

NASA Astrophysics Data System (ADS)

Cunningham, Brian; Grüning, Myrta; Azarhoosh, Pooya; Pashov, Dimitar; van Schilfgaarde, Mark

2018-03-01

We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B 76, 165106 (2007), 10.1103/PhysRevB.76.165106] for the electronic structure with the solution of the ladder approximation to the Bethe-Salpeter equation for the macroscopic dielectric function. The solution of the Bethe-Salpeter equation has been implemented within an all-electron framework, using a linear muffin-tin orbital basis set, with the contribution from the nonlocal self-energy to the transition dipole moments (in the optical limit) evaluated explicitly. This approach addresses those systems whose electronic structure is poorly described within the standard perturbative GW approaches with density-functional theory calculations as a starting point. The merits of this approach have been exemplified by calculating optical absorption spectra of a strongly correlated transition metal oxide, NiO, and a narrow gap semiconductor, Ge. In both cases, the calculated spectrum is in good agreement with the experiment. It is also shown that for systems whose electronic structure is well-described within the standard perturbative GW , such as Si, LiF, and h -BN , the performance of the present approach is in general comparable to the standard GW plus Bethe-Salpeter equation. It is argued that both vertex corrections to the electronic screening and the electron-phonon interaction are responsible for the observed systematic overestimation of the fundamental band gap and spectrum onset.

Laboratory Measurements of Mass Specific Absorption Spectra for Suites of Black Carbon-like, Biomass Burning and Mineral Dust Aerosols

NASA Astrophysics Data System (ADS)

Radney, J.; Zangmeister, C.

2017-12-01

Light-absorbing atmospheric aerosols can be grouped into three categories: black carbon (BC), brown carbon (BrC) or mineral dust (MD). In many cases, the absorption of these species is best quantified using a mass-specific absorption cross section (MAC) since the particles are in the Rayleigh regime (BC) or optically thin (BrC and MD); notably, MAC values are both traceable to the SI and transferrable between photoacoustic spectroscopy and filter-based absorption measurements. Here, we present laboratory measurements of MAC for all three light-absorbing aerosol classes. Particles were size- and mass-selected using a differential mobility analyzer and aerosol particle mass analyzer, respectively, with absorption coefficients (αabs) and number concentrations (N) being measured by a broadband photoacoustic spectrometer and condensation particle counter, respectively. This suite of instrumentation allows for direct quantification of MAC from the measured parameters (MAC = αabs/Nmp). Further, the measurements contained > 8 data points spanning λ = 405 nm to 840 nm allowing for spectral curvatures (i.e. the Absorption Angstrom Exponent or AAE) to be fit from many data points versus the more common 2-point interpolations. For the carbonaceous, BC-like aerosols - five samples generated from flames, spark discharge soot (i.e. fullerene soot), graphene, reduced graphene oxide (rGO), and fullerene (C60) - we found: 1) measured MAC ranged between 2.4 m2 g-1 and 8.6 m2 g-1 at λ = 550 nm, 2) most AAEs ranged between 0.5 and 1.3; C60 AAE was 7.5 ± 0.9 and 3) MAC spectra were dependent on fuel type and formation conditions. For BrC particles generated from smoldering combustion of 3 hardwood (Oak, Hickory and Mesquite) and 3 softwood species (Western redcedar, Blue spruce and Baldcypress), we found: 1) median MAC values ranged from 1.4 x 10-2 m2 g-1 to 7.9 x 10-2 m2 g-1 at λ = 550 nm, 2) AAE values ranged between 3.5 and 6.2, and 3) Oak, Western redcedar and Blue spruce

DFT study of electron absorption and emission spectra of pyramidal LnPc(OAc) complexes of some lanthanide ions in the solid state.

PubMed

Hanuza, J; Godlewska, P; Lisiecki, R; Ryba-Romanowski, W; Kadłubański, P; Lorenc, J; Łukowiak, A; Macalik, L; Gerasymchuk, Yu; Legendziewicz, J

2018-05-05

The electron absorption and emission spectra were measured for the pyramidal LnPc(OAc) complexes in the solid state and co-doped in silica glass, where Ln=Er, Eu and Ho. The theoretical electron spectra were determined from the quantum chemical DFT calculation using four approximations CAM-B3LYP/LANL2DZ, CAM-B3LYP/CC-PVDZ, B3LYP/LANL2DZ and B3LYP/CC-PVDZ. It was shown that the best agreement between the calculated and experimental structural parameters and spectroscopic data was reached for the CAM-B3LYP/LANL2DZ model. The emission spectra were measured using the excitations both in the ligand and lanthanide absorption ranges. The possibility of energy transfer between the phthalocyanine ligand and excited states of lanthanide ions was discussed. It was shown that the back energy transfer from metal states to phthalocyanine state is responsible for the observed emission of the studied complexes both in the polycrystalline state and silica glass. Copyright © 2018. Published by Elsevier B.V.

DFT study of the effect of substituents on the absorption and emission spectra of Indigo

PubMed Central

2012-01-01

Background Theoretical analyses of the indigo dye molecule and its derivatives with Chlorine (Cl), Sulfur (S), Selenium (Se) and Bromine (Br) substituents, as well as an analysis of the Hemi-Indigo molecule, were performed using the Gaussian 03 software package. Results Calculations were performed based on the framework of density functional theory (DFT) with the Becke 3- parameter-Lee-Yang-Parr (B3LYP) functional, where the 6-31 G(d,p) basis set was employed. The configuration interaction singles (CIS) method with the same basis set was employed for the analysis of excited states and for the acquisition of the emission spectra. Conclusions The presented absorption and emission spectra were affected by the substitution position. When a hydrogen atom of the molecule was substituted by Cl or Br, practically no change in the absorbed and emitted energies relative to those of the indigo molecule were observed; however, when N was substituted by S or Se, the absorbed and emitted energies increased. PMID:22809100

FSFE: Fake Spectra Flux Extractor

NASA Astrophysics Data System (ADS)

Bird, Simeon

2017-10-01

The fake spectra flux extractor generates simulated quasar absorption spectra from a particle or adaptive mesh-based hydrodynamic simulation. It is implemented as a python module. It can produce both hydrogen and metal line spectra, if the simulation includes metals. The cloudy table for metal ionization fractions is included. Unlike earlier spectral generation codes, it produces absorption from each particle close to the sight-line individually, rather than first producing an average density in each spectral pixel, thus substantially preserving more of the small-scale velocity structure of the gas. The code supports both Gadget (ascl:0003.001) and AREPO.

DFT Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters

DTIC Science & Technology

2017-10-31

of isolated molecules and that of bulk systems. DFT calculated absorption spectra represent quantitative estimates that can be correlated with...spectra, can be correlated with the presence of these hydrocarbons (see reference [1]). Accordingly, the molecular structure and IR absorption spectra of...associated with different types of ambient molecules, e.g., H2O, in order to apply background subtraction or spectral-signature- correlation algorithms

Comparison of absorption spectra of adenocarcinoma and squamous cell carcinoma cervical tissue

NASA Astrophysics Data System (ADS)

Peresunko, O. P.; Zelinska, N. V.; Prydij, O. G.; Zymnyakov, D. A.; Ushakova, O. V.

2013-12-01

We studied a methods of assessment of a connective tissue of cervix in terms of specific volume of fibrous component and an optical density of staining of connective tissue fibers in the stroma of squamous cancer and cervix adenocarcinoma. An absorption spectra of blood plasma of the patients suffering from squamous cancer and cervix adenocarcinoma both before the surgery and in postsurgical periods were obtained. Linear dichroism measurements transmittance in polarized light at different orientations of the polarization plane relative to the direction of the dominant orientation in the structure of the sample of biotissues of stroma of squamous cancer and cervix adenocarcinoma were carried. Results of the investigation of the tumor tissues showed that the magnitude of the linear dichroism Δ is insignificant in the researched spectral range λ=280-840 nm and specific regularities in its change observed short-wave ranges.

Vibrational, X-ray absorption, and Mössbauer spectra of sulfate minerals from the weathered massive sulfide deposit at Iron Mountain, California

USGS Publications Warehouse

Majzlan, Juraj; Alpers, Charles N.; Bender Koch, Christian; McCleskey, R. Blaine; Myneni, Satish B.C.; Neil, John M.

2011-01-01

The Iron Mountain Mine Superfund site in California is a prime example of an acid mine drainage (AMD) system with well developed assemblages of sulfate minerals typical for such settings. Here we present and discuss the vibrational (infrared), X-ray absorption, and M??ssbauer spectra of a number of these phases, augmented by spectra of a few synthetic sulfates related to the AMD phases. The minerals and related phases studied in this work are (in order of increasing Fe2O3/FeO): szomolnokite, rozenite, siderotil, halotrichite, r??merite, voltaite, copiapite, monoclinic Fe2(SO4)3, Fe2(SO4)3??5H2O, kornelite, coquimbite, Fe(SO4)(OH), jarosite and rhomboclase. Fourier transform infrared spectra in the region 750-4000cm-1 are presented for all studied phases. Position of the FTIR bands is discussed in terms of the vibrations of sulfate ions, hydroxyl groups, and water molecules. Sulfur K-edge X-ray absorption near-edge structure (XANES) spectra were collected for selected samples. The feature of greatest interest is a series of weak pre-edge peaks whose position is determined by the number of bridging oxygen atoms between Fe3+ octahedra and sulfate tetrahedra. M??ssbauer spectra of selected samples were obtained at room temperature and 80K for ferric minerals jarosite and rhomboclase and mixed ferric-ferrous minerals r??merite, voltaite, and copiapite. Values of Fe2+/[Fe2++Fe3+] determined by M??ssbauer spectroscopy agree well with those determined by wet chemical analysis. The data presented here can be used as standards in spectroscopic work where spectra of well-characterized compounds are required to identify complex mixtures of minerals and related phases. ?? 2011 Elsevier B.V.

Vibrational, X-ray absorption, and Mössbauer spectra of sulfate minerals from the weathered massive sulfide deposit at Iron Mountain, California

USGS Publications Warehouse

Majzlan, Juraj; Alpers, Charles N.; Bender Koch, Christian; McCleskey, R. Blaine; Myneni, Satish B.C.; Neil, John M.

2014-01-01

The Iron Mountain Mine Superfund site in California is a prime example of an acid mine drainage (AMD) system with well developed assemblages of sulfate minerals typical for such settings. Here we present and discuss the vibrational (infrared), X-ray absorption, and Mössbauer spectra of a number of these phases, augmented by spectra of a few synthetic sulfates related to the AMD phases. The minerals and related phases studied in this work are (in order of increasing Fe2O3/FeO): szomolnokite, rozenite, siderotil, halotrichite, römerite, voltaite, copiapite, monoclinic Fe2(SO4)3, Fe2(SO4)3·5H2O, kornelite, coquimbite, Fe(SO4)(OH), jarosite and rhomboclase. Fourier transform infrared spectra in the region 750–4000 cm−1 are presented for all studied phases. Position of the FTIR bands is discussed in terms of the vibrations of sulfate ions, hydroxyl groups, and water molecules. Sulfur K-edge X-ray absorption near-edge structure (XANES) spectra were collected for selected samples. The feature of greatest interest is a series of weak pre-edge peaks whose position is determined by the number of bridging oxygen atoms between Fe3+ octahedra and sulfate tetrahedra. Mössbauer spectra of selected samples were obtained at room temperature and 80 K for ferric minerals jarosite and rhomboclase and mixed ferric–ferrous minerals römerite, voltaite, and copiapite. Values of Fe2+/[Fe2+ + Fe3+] determined by Mössbauer spectroscopy agree well with those determined by wet chemical analysis. The data presented here can be used as standards in spectroscopic work where spectra of well-characterized compounds are required to identify complex mixtures of minerals and related phases.

Structural and optical studies of Er3+-doped alkali/alkaline oxide containing zinc boro-aluminosilicate glasses for 1.5 μm optical amplifier applications

NASA Astrophysics Data System (ADS)

Kaky, Kawa M.; Lakshminarayana, G.; Baki, S. O.; Lira, A.; Caldiño, U.; Meza-Rocha, A. N.; Falcony, C.; Kityk, I. V.; Taufiq-Yap, Y. H.; Halimah, M. K.; Mahdi, M. A.

2017-07-01

In the present work, we report on the optical spectral properties of Er3+-doped zinc boro-aluminosilicate glasses with an addition of 10 mol % alkali/alkaline modifier regarding the fabrication of new optical materials for optical amplifiers. A total of 10 glasses were prepared using melt-quenching technique with the compositions (40-x)B2O3 - 10SiO2 - 10Al2O3 - 30ZnO - 10Li2O - xEr2O3 and (40-x)B2O3 - 10SiO2 - 10Al2O3 - 30ZnO - 10MgO - xEr2O3 (x = 0.1, 0.25, 0.5, 1.0, and 2.0 mol %). We confirm the amorphous-like structure for all the prepared glasses using X-ray diffraction (XRD). To study the functional groups of the glass composition after the melt-quenching process, Raman spectroscopy was used, and various structural units such as triangular and tetrahedral-borates (BO3 and BO4) have been identified. All the samples were characterized using optical absorption for UV, visible and NIR regions. Judd-Ofelt (JO) intensity parameters (Ωλ, λ = 2, 4 and 6) were calculated from the optical absorption spectra of two glasses LiEr 2.0 and MgEr 2.0 (doped with 2 mol % of Er3+). JO parameters for LiEr 2.0 and MgEr 2.0 glasses follow the trend as Ω6>Ω2>Ω4. Using Judd-Ofelt intensity parameters, we obtained radiative probability A (S-1), branching ratios (β), radiative decay lifetimes τrad (μs) of emissions from excited Er+3 ions in LiEr 2.0 and MgEr 2.0 to all lower levels. Quantum efficiency (η) of 4I13/2 and 4S3/2 levels for LiEr 2.0 and MgEr 2.0 with and without 4D7/2 level was calculated using the radiative decay lifetimes τrad. (μs) and measured lifetimes τexp. (μs). We measured the visible photoluminescence under 377 nm excitation for both LiEr and MgEr glass series within the region 390-580 nm. Three bands were observed in the visible region at 407 nm, 530 nm, and 554 nm, as a result of 2H9/2 → 4I15/2, 2H11/2 → 4I15/2 and 4S3/2 → 4I15/2 transitions, respectively. Decay lifetimes for emissions at 407 nm, 530 nm, and 554 nm were measured and they show

The effect of pathological processes on absorption and scattering spectra of samples of bile and pancreatic juice

NASA Astrophysics Data System (ADS)

Giraev, K. M.; Ashurbekov, N. A.; Magomedov, M. A.; Murtazaeva, A. A.; Medzhidov, R. T.

2015-07-01

Spectra of optical transmission coefficients and optical reflectance for bile and pancreatic juice samples were measured experimentally for different forms of pathologies of the pancreas within the range of 250-2500 nm. The absorption and scattering spectra, as well as the spectrum of the anisotropy factor of scattering, were determined based on the results obtained using the reverse Monte Carlo method. The surface morphology for the corresponding samples of the biological media was studied employing electron microscopy. The dynamics of the optical properties of the biological media was determined depending on the stage of the pathology. It has been demonstrated that the results of the study presented are in a good agreement with pathophysiological data and could supplement and broaden the results of conventional methods for diagnostics of the pancreas.

Effect of Ga2O3 on the spectroscopic properties of erbium-doped boro-bismuth glasses.

PubMed

Ling, Zhou; Ya-Xun, Zhou; Shi-Xun, Dai; Tie-Feng, Xu; Qiu-Hua, Nie; Xiang, Shen

2007-11-01

The spectroscopic properties and thermal stability of Er3+-doped Bi2O3-B2O3-Ga2O3 glasses are investigated experimentally. The effect of Ga2O3 content on absorption spectra, the Judd-Ofelt parameters Omega t (t=2, 4, 6), fluorescence spectra and the lifetimes of Er3+:4I 13/2 level are also investigated, and the stimulated emission cross-section is calculated from McCumber theory. With the increasing of Ga2O3 content in the glass composition, the Omega t (t=2, 4, 6) parameters, fluorescence full width at half maximum (FWHM) and the 4I 13/2 lifetimes of Er3+ first increase, reach its maximum at Ga2O3=8 mol.%, and then decrease. The results show that Er3+-doped 50Bi2O3-42B2O3-8Ga2O3 glass has the broadest FWHM (81nm) and large stimulated emission cross-section (1.03 x1 0(-20)cm2) in these glass samples. Compared with other glass hosts, the gain bandwidth properties of Er+3-doped Bi2O3-B2O3-Ga2O3 glass is better than tellurite, silicate, phosphate and germante glasses. In addition, the lifetime of 4I 13/2 level of Er(3+) in bismuth-based glass, compared with those in other glasses, is relative low due to the high-phonon energy of the B-O bond, the large refractive index of the host and the existence of OH* in the glass. At the same time, the glass thermal stability is improved in which the substitution of Ga2O3 for B2O3 strengthens the network structure. The suitability of bismuth-based glass as a host for a Er3+-doped broadband amplifier and its advantages over other glass hosts are also discussed.

Full-profile fitting of emission spectrum to determine transition intensity parameters of Yb3 +:GdTaO4

NASA Astrophysics Data System (ADS)

Zhang, Qingli; Sun, Guihua; Ning, Kaijie; Shi, Chaoshu; Liu, Wenpeng; Sun, Dunlu; Yin, Shaotang

2016-11-01

The Judd-Ofelt theoretic transition intensity parameters of luminescence of rare-earth ions in solids are important for the quantitative analysis of luminescence. It is very difficult to determine them with emission or absorption spectra for a long time. A “full profile fitting” method to obtain in solids with its emission spectrum is proposed, in which the contribution of a radiative transition to the emission spectrum is expressed as the product of transition probability, line profile function, instrument measurement constant and transition center frequency or wavelength, and the whole experimental emission spectrum is the sum of all transitions. In this way, the emission spectrum is expressed as a function with the independent variables intensity parameters , full width at half maximum (FWHM) of profile functions, instrument measurement constant, wavelength, and the Huang-Rhys factor S if the lattice vibronic peaks in the emission spectrum should be considered. The ratios of the experimental to the calculated energy lifetimes are incorporated into the fitting function to remove the arbitrariness during fitting and other parameters. Employing this method obviates measurement of the absolute emission spectrum intensity. It also eliminates dependence upon the number of emission transition peaks. Every experiment point in emission spectra, which usually have at least hundreds of data points, is the function with variables and other parameters, so it is usually viable to determine and other parameters using a large number of experimental values. We applied this method to determine twenty-five of Yb3+ in GdTaO4. The calculated and experiment energy lifetimes, experimental and calculated emission spectrum are very consistent, indicating that it is viable to obtain the transition intensity parameters of rare-earth ions in solids by a full profile fitting to the ions’ emission spectrum. The calculated emission cross sections of Yb3+:GdTaO4 also indicate that the F

∼2 μm emission properties and non-radiative processes of Tm{sup 3+} in germanate glass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Song; Liu, Xueqiang; Fan, Xiaokang

2014-11-07

In this paper, 80GeO{sub 2}-8Ga{sub 2}O{sub 3}-10BaO-2Nb{sub 2}O{sub 5}-6PbO (in mol%) glass samples with different Tm{sub 2}O{sub 3} concentrations (0, 0.5, 0.75, 1, 1.25, and 1.5 mol. %) were prepared by traditional melt-quenching method. According to the measurement of thermal properties of the host glass, the glass transition temperature is 596.7 °C and no crystallization peak is observed. Judd–Ofelt parameters Ω{sub t} (t = 2, 4, 6) and fluorescent lifetimes were obtained by Judd-Ofelt theory. The similar values of Judd–Ofelt parameters and the full-width at half-maximums of ∼1800 nm indicate the local environment of Tm{sup 3+} changes little with increment of Tm{sub 2}O{sub 3} concentrations.more » Maximum stimulated emission cross-section of ∼1800 nm is 6.22 × 10{sup −21} cm{sup 2} as calculated by Fuchtbauer–Ladenburg formula. Energy migration among Tm{sup 3+} ions was analyzed by the extended overlap integral method. The non-radiative transition rates between mainly energy levels of Tm{sup 3+} were calculated. Non-radiative transition rate of {sup 3}F{sub 4} energy level caused by OH was analyzed by rate equation and deduced by fitting the fluorescence decay curve.« less

Absorption spectra and optical transitions in InAs/GaAs self-assembled quantum dots

NASA Astrophysics Data System (ADS)

Cusack, M. A.; Briddon, P. R.; Jaros, M.

1997-08-01

We have applied the multiband effective mass/valence force field method to the calculation of optical transitions and absorption spectra in InAs/GaAs self-organized dots of different sizes. We have found that the apparently conflicting assignments of luminescence features to optical transitions in different experiments are in fact entirely compatible with each other. Whether the optical signature of a dot is constructed from transitions between states of the same quantum numbers, or via additional processes between the ground conduction state and a low-lying valence state depends on the aspect ratio of the quantum dot radius and height. The states involved can be predicted from a simple particle in a rigid rectangular box model.

Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozone

DOE Office of Scientific and Technical Information (OSTI.GOV)

Picconi, David; Grebenshchikov, Sergy Yu., E-mail: Sergy.Grebenshchikov@ch.tum.de

Photodissociation of ozone in the near UV is studied quantum mechanically in two excited electronic states coupled at a conical intersection located outside the Franck-Condon zone. The calculations, performed using recent ab initio PESs, provide an accurate description of the photodissociation dynamics across the Hartley/Huggins absorption bands. The observed photofragment distributions are reproduced in the two electronic dissociation channels. The room temperature absorption spectrum, constructed as a Boltzmann average of many absorption spectra of rotationally excited parent ozone, agrees with experiment in terms of widths and intensities of diffuse structures. The exit channel conical intersection contributes to the coherent broadeningmore » of the absorption spectrum and directly affects the product vibrational and translational distributions. The photon energy dependences of these distributions are strikingly different for fragments created along the adiabatic and the diabatic paths through the intersection. They can be used to reverse engineer the most probable geometry of the non-adiabatic transition. The angular distributions, quantified in terms of the anisotropy parameter β, are substantially different in the two channels due to a strong anticorrelation between β and the rotational angular momentum of the fragment O{sub 2}.« less

FIRST ULTRAVIOLET REFLECTANCE SPECTRA OF PLUTO AND CHARON BY THE HUBBLE SPACE TELESCOPE COSMIC ORIGINS SPECTROGRAPH: DETECTION OF ABSORPTION FEATURES AND EVIDENCE FOR TEMPORAL CHANGE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stern, S. A.; Spencer, J. R.; Shinn, A.

We have observed the mid-UV spectra of both Pluto and its large satellite, Charon, at two rotational epochs using the Hubble Space Telescope (HST) Cosmic Origins Spectrograph (COS) in 2010. These are the first HST/COS measurements of Pluto and Charon. Here we describe the observations and our reduction of them, and present the albedo spectra, average mid-UV albedos, and albedo slopes we derive from these data. These data reveal evidence for a strong absorption feature in the mid-UV spectrum of Pluto; evidence for temporal change in Pluto's spectrum since the 1990s is reported, and indirect evidence for a near-UV spectralmore » absorption on Charon is also reported.« less

Highly-efficient mid-infrared CW laser operation in a lightly-doped 3 at.% Er:SrF2 single crystal.

PubMed

Su, Liangbi; Guo, Xinsheng; Jiang, Dapeng; Wu, Qinghui; Qin, Zhipeng; Xie, Guoqiang

2018-03-05

3 at.% Er:SrF 2 laser crystals with high optical quality were successfully grown using the temperature gradient technique (TGT). The intense mid-infrared emission was observed around 2.7 μm with excitation by a 970 nm LD. Based on the Judd-Ofelt theory, the emission cross-sections of the 4 I 13/2 - 4 I 11/2 transition were calculated by using the Fuchtbauer-Ladenburg (FL) method. Efficient continuous-wave laser operation at 2.8 µm was achieved with the lightly-doped 3 at.% Er:SrF 2 crystal pumped by a 970 nm laser diode. The laser output power reached up to 1.06 W with a maximum slope efficiency of 26%.

C IV broad absorption line variability in QSO spectra from SDSS surveys

NASA Astrophysics Data System (ADS)

De Cicco, Demetra; Brandt, William N.; Grier, Catherine J.; Paolillo, Maurizio

2017-12-01

Broad absorption lines (BALs) in the spectra of quasi-stellar objects (QSOs) are thought to arise from outflowing winds along our line of sight; winds, in turn, are thought to originate from the accretion disk, in the very surroundings of the central supermassive black hole (SMBH), and they likely affect the accretion process onto the SMBH, as well as galaxy evolution. BALs can exhibit variability on timescales typically ranging from months to years. We analyze such variability and, in particular, BAL disappearance, with the aim of investigating QSO physics and structure. We search for disappearing C IV BALs in the spectra of 1319 QSOs from different programs from the Sloan Digital Sky Survey (SDSS); the analyzed time span covers 0.28-4.9 yr (rest frame), and the source redshifts are in the range 1.68-4.27. This is to date the largest sample ever used for such a study. We find 67 sources (5.1_{-0.6}^{+0.7}% of the sample) with 73 disappearing BALs in total (3.9_{-0.5}^{+0.5}% of the total number of C IV BALs detected; some sources have more than one BAL that disappears). We compare the sample of disappearing BALs to the whole sample of BALs, and investigate the correlation in the variability of multiple troughs in the same spectrum. We also derive estimates of the average lifetime of a BAL trough and of the BAL phase along our line of sight.

Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra.

PubMed

Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

2016-02-15

The restricted active-space (RAS) approach can accurately simulate metal L-edge X-ray absorption spectra of first-row transition metal complexes without the use of any fitting parameters. These characteristics provide a unique capability to identify unknown chemical species and to analyze their electronic structure. To find the best balance between cost and accuracy, the sensitivity of the simulated spectra with respect to the method variables has been tested for two models, [FeCl6 ](3-) and [Fe(CN)6 ](3-) . For these systems, the reference calculations give deviations, when compared with experiment, of ≤1 eV in peak positions, ≤30% for the relative intensity of major peaks, and ≤50% for minor peaks. When compared with these deviations, the simulated spectra are sensitive to the number of final states, the inclusion of dynamical correlation, and the ionization potential electron affinity shift, in addition to the selection of the active space. The spectra are less sensitive to the quality of the basis set and even a double-ζ basis gives reasonable results. The inclusion of dynamical correlation through second-order perturbation theory can be done efficiently using the state-specific formalism without correlating the core orbitals. Although these observations are not directly transferable to other systems, they can, together with a cost analysis, aid in the design of RAS models and help to extend the use of this powerful approach to a wider range of transition metal systems. © 2015 Wiley Periodicals, Inc.

Absorption spectra of 4f electron transitions of neodymium and erbium with 8-hydroxyquinoline-5-sulphonic acid and diethylamine systems and its analytical application

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang Naixing; Qi Ping

1992-06-01

In this paper the absorption spectra of 4f electron transitions of the systems of neodymium and erbium with 8-hydroxyquinoline-5-sulphonic acid and diethylamine have been studied by normal and third-derivative spectrophotometry. Their molar absorptivities are 80 1.mol{sup {minus}1}.cm{sup {minus}1} for neodymium and 65 1.mol{sup {minus}1}.cm{sup {minus}1} for erbium. Use of the third-derivative spectra, eliminates the interference by other rare earths and increases the sensitivity for Nd and Er. The derivative molar absorptivities are 390 1.mol{sup {minus}1}.cm{sup {minus}1} for Nd and 367 1.mol{sup {minus}1}.cm{sup {minus}1} for Er. The calibration graphs were linear up to 11.8 {mu}g/ml of Nd and 12.3 {mu}g/ml ofmore » Er, respectively. The relative standard deviations evaluated from eleven independent determinations of 7.2 {mu}g/ml (for Nd) and 8.3 {mu}g/ml (for Er) are 1.3% and 1.4%, respectively. The detection limits are 0.2 {mu}g/ml for Nd and 0.3 {mu}g/ml for Er. The method has been developed for determining those two elements in mixture of lanthanides by means of the third-derivative spectra and the analytical results obtained are satisfactory.« less

Infrared Measurements of Atmospheric Ethane (C2H6) From Aircraft and Ground-Based Solar Absorption Spectra in the 3000/ cm Region

NASA Technical Reports Server (NTRS)

Coffey, M. T.; Mankin, W. G.; Goldman, A.; Rinsland, C. P.; Harvey, G. A.; Devi, V. Malathy; Stokes, G. M.

1985-01-01

A number or prominent Q-branches or the upsilon(sub 7) band or C2H6 have been identified near 3000/ cm in aircraft and ground-based infrared solar absorption spectra. The aircraft spectra provide the column amount above 12 km at various altitudes. The column amount is strongly correlated with tropopause height and can be described by a constant mixing ratio of 0.46 ppbv in the upper troposphere and a mixing ratio scale height of 3.9 km above the tropopause. The, ground-based spectra yield a column of 9.0 x 10(exp 15) molecules/sq cm above 2.1 km; combining these results implies a tropospheric mixing ratio of approximately 0.63 ppbv.

Infrared measurements of atmospheric ethane (C2H6) from aircraft and ground-based solar absorption spectra in the 3000/cm region

NASA Technical Reports Server (NTRS)

Coffey, M. T.; Mankin, W. G.; Goldman, A.; Rinsland, C. P.; Harvey, G. A.; Devi, V. M.; Stokes, G. M.

1985-01-01

A number of prominent Q-branches of the nu-7 band of C2H6 have been identified near 3000/cm in aircraft and ground-based infrared solar absorption spectra. The aircraft spectra provide the column amount above 12 km at various altitudes. The column amount is strongly correlated with tropopause height and can be described by a constant mixing ratio of 0.46 ppbv in the upper troposphere and a mixing ratio scale height of 3.9 km above the tropopause. The ground-based spectra yield a column of 9.0 x 10 to the 15th molecules/sq cm above 2.1 km; combining these results implies a tropospheric mixing ratio of approximately 0.63 ppbv.

Complex polarization propagator approach in the restricted open-shell, self-consistent field approximation: the near K-edge X-ray absorption fine structure spectra of allyl and copper phthalocyanine.

PubMed

Linares, Mathieu; Stafström, Sven; Rinkevicius, Zilvinas; Ågren, Hans; Norman, Patrick

2011-05-12

A presentation of the complex polarization propagator in the restricted open-shell self-consistent field approximation is given. It rests on a formulation of a resonant-convergent, first-order polarization propagator approach that makes it possible to directly calculate the X-ray absorption cross section at a particular frequency without explicitly addressing the excited states. The quality of the predicted X-ray spectra relates only to the type of density functional applied without any separate treatment of dynamical relaxation effects. The method is applied to the calculation of the near K-edge X-ray absorption fine structure spectra of allyl and copper phthalocyanine. Comparison is made between the spectra of the radicals and those of the corresponding cations and anions to assess the effect of the increase of electron charge in the frontier orbital. The method offers the possibility for unique assignment of symmetry-independent atoms. The overall excellent spectral agreement motivates the application of the method as a routine precise tool for analyzing X-ray absorption of large systems of technological interest.

Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.

PubMed

Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

2014-09-28

The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d(5)) model systems with well-known electronic structure, viz., atomic Fe(3+), high-spin [FeCl6](3-) with ligand donor bonding, and low-spin [Fe(CN)6](3-) that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

Infrared absorption spectra of N(CxF2x+1)3, x = 2-5 perfluoroamines

NASA Astrophysics Data System (ADS)

Bernard, François; Papanastasiou, Dimitrios K.; Papadimitriou, Vassileios C.; Burkholder, James B.

2018-05-01

Infrared absorption spectra of the perfluoroamines (N(C2F5)3, N(C3F7)3, N(C4F9)3, and N(C5F11)3) were measured over the 500-4000 cm-1 spectral region at 294 K using Fourier transform infrared (FTIR) spectroscopy at 1 cm-1 resolution. Spectral measurements were performed using static measurements of dilute perfluoroamines mixtures and by infusion of the pure compound into a calibrated gas flow. The perfluoroamines absorb strongly in the "atmospheric window" with integrated band strengths (10-17 cm2 molecule-1 cm-1) between 570 and 1500 cm-1 of 59.9, 74.9, 88.9, and 98.7 for N(C2F5)3, N(C3F7)3, N(C4F9)3, and N(C5F11)3, respectively. Radiative efficiencies (RE) for the perfluoroamines were estimated to be 0.61, 0.75, 0.87, and 0.95 W m-2 ppb-1 for atmospherically well-mixed conditions and including a +10% stratospheric temperature correction for N(C2F5)3, N(C3F7)3, N(C4F9)3, and N(C5F11)3, respectively. Theoretical calculations of the perfluoroamines were performed at the B97-1/6-311++G(2df,2p) level of theory and optimized perfluoroamine geometries, vibrational band positions, and band strengths are reported. The theoretically calculated infrared spectra are in good agreement with the experimental spectra, while comparison of individual bands was not attempted due to the significant overlap of vibrational bands in the experimental spectra.

Substituent and solvent effects on electronic spectra of some substituted phenoxyacetic acids.

PubMed

Shanthi, M; Kabilan, S

2007-06-01

The effects of substituents and solvents have been studied through the absorption spectra of nearly 19 para- and ortho-substituted phenoxyacetic acids in the range of 200-400 nm. The effects of substituent on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

Substituent and solvent effects on electronic spectra of some substituted phenoxyacetic acids

NASA Astrophysics Data System (ADS)

Shanthi, M.; Kabilan, S.

2007-06-01

The effects of substituents and solvents have been studied through the absorption spectra of nearly 19 para- and ortho-substituted phenoxyacetic acids in the range of 200-400 nm. The effects of substituent on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

Simulation of X-ray absorption spectra with orthogonality constrained density functional theory.

PubMed

Derricotte, Wallace D; Evangelista, Francesco A

2015-06-14

Orthogonality constrained density functional theory (OCDFT) [F. A. Evangelista, P. Shushkov and J. C. Tully, J. Phys. Chem. A, 2013, 117, 7378] is a variational time-independent approach for the computation of electronic excited states. In this work we extend OCDFT to compute core-excited states and generalize the original formalism to determine multiple excited states. Benchmark computations on a set of 13 small molecules and 40 excited states show that unshifted OCDFT/B3LYP excitation energies have a mean absolute error of 1.0 eV. Contrary to time-dependent DFT, OCDFT excitation energies for first- and second-row elements are computed with near-uniform accuracy. OCDFT core excitation energies are insensitive to the choice of the functional and the amount of Hartree-Fock exchange. We show that OCDFT is a powerful tool for the assignment of X-ray absorption spectra of large molecules by simulating the gas-phase near-edge spectrum of adenine and thymine.

Structural and spectroscopic characteristics of Eu3+-doped tungsten phosphate glasses

NASA Astrophysics Data System (ADS)

Dousti, M. Reza; Poirier, Gael Yves; de Camargo, Andrea Simone Stucchi

2015-07-01

Tungsten based phosphate glasses are interesting non-crystalline materials, commonly known for photochromic and electrochromic effects, but also promising hosts for luminescent trivalent rare earth ions. Despite very few reports in the literature, association of the host´s functionalities with the efficient emissions of the dopant ions in the visible and near-infrared spectra could lead to novel applications. This work reports the preparation and characterization of glasses with the new composition 4(Sb2O3)96-x(50WO3 50NaPO3)xEu2O3 where x = 0, 0.1, 0.25, 0.5 and 1.0 mol%, obtained by the melt quenching technique. The glasses present large density (∼4.6 g cm-3), high glass transition temperature (∼480 °C) and high thermal stability against crystallization. Upon excitation at 464 nm, the characteristic emissions of Eu3+ ions in the red spectral region are observed with high intensity. The Judd-Ofelt intensity parameters Ω2 = 6.86 × 10-20, Ω4 = 3.22 × 10-20 and Ω6 = 8.2 × 10-20 cm2 were calculated from the emission spectra and found to be higher than those reported for other phosphate glass compositions. An average excited state lifetime value of 1.2 ms, was determined by fitting the luminescence decay curves with single exponential functions and it is comparable or higher than those of other oxide glasses.

Circular dichroism and optical absorption spectra of mononuclear and trinuclear chiral Cu(II) amino-alcohol coordinated compounds: A combined theoretical and experimental study

NASA Astrophysics Data System (ADS)

Valencia, Israel; Ávila-Torres, Yenny; Barba-Behrens, Norah; Garzón, Ignacio L.

2015-04-01

Studies on the physicochemical properties of biomimetic compounds of multicopper oxidases are fundamental to understand their reaction mechanisms and catalytic behavior. In this work, electronic, optical, and chiroptical properties of copper(II) complexes with amino-alcohol chiral ligands are theoretically studied by means of time-dependent density functional theory. The calculated absorption and circular dichroism spectra are compared with experimental measurements of these spectra for an uncoordinated pseudoephedrine derivative, as well as for the corresponding mononuclear and trinuclear copper(II)-coordinated complexes. This comparison is useful to gain insights into their electronic structure, optical absorption and optical activity. The optical absorption and circular dichroism bands of the pseudoephedrine derivative are located in the UV-region. They are mainly due to transitions originated from n to π anti-bonding orbitals of the alcohol and amino groups, as well as from π bonding to π anti-bonding orbitals of carboxyl and phenyl groups. In the case of the mononuclear and trinuclear compounds, additional signals in the visible spectral region are present. In both systems, the origin of these bands is due to charge transfer from ligand to metal and d-d transitions.

Optical Absorption Spectra of Hydrogenated Microcrystalline Silicon Films by Resonant Photothermal Bending Spectroscopy

NASA Astrophysics Data System (ADS)

Kunii, Toshie; Yoshida, Norimitsu; Hori, Yasuro; Nonomura, Shuichi

2006-05-01

A resonant photothermal bending spectroscopy (PBS) is demonstrated for the measurement of absorption coefficient spectra in hydrogenated microcrystalline silicon (μc-Si:H) and hydrogenated microcrystalline cubic silicon carbide (μc-3C-SiC:H) films. The resonant vibration technique utilized in PBS establishes the sensitivity as α d˜ 5× 10-5 in a vacuum measurement. Appling resonant PBS to μc-Si:H films, a new extra absorption coefficient αex spectrum is observed from 0.6 to 1.2 eV. The αex spectrum has a peak at ˜1.0 eV, and the localized states inducing the αex are located ˜0.35 eV below the conduction band edge of μc-Si:H. A possible explanation for the observed localized state is that an oxidation produces weak bonds at the grain boundaries and/or amorphous silicon tissues. In μc-3C-SiC:H film, an optical band-gap energy of ˜2.2 eV was demonstrated assuming an indirect optical transition. The temperature coefficient of the optical band-gap energy was ˜2.3× 10-4 eV K-1. The αex spectrum of μc-3C-SiC:H film is plateau-shaped and its magnitude is in accord with an increase in grain size.

Absorption and resonance Raman spectra of Pb2, Pb3 and Pb4 in xenon matrices

NASA Technical Reports Server (NTRS)

Stranz, D. D.; Khanna, R. K.

1980-01-01

Lead metal was vaporized and trapped in solid xenon at 12K. Electronic absorption and resonance Raman spectra were recorded of the resulting matrix, which was shown to contain Pb2, Pb3, and possibly Pb4 molecular species. The vibrational frequency for Pb2 is determined to be 108/cm for the ground state, with a dissociation energy of 82000/cm. Ad3h symmetry is indicated for the Pb3 species, with nu sub 1=117/cm and nu sub 2 = 96 /cm. The existence of Pb4 is suggested by a fundamental and overtone of 111/cm spacing.

Impact effects of gamma irradiation on the optical and FT infrared absorption spectra of some Nd3+-doped soda lime phosphate glasses

NASA Astrophysics Data System (ADS)

Marzouk, M. A.; Elkashef, I. M.; Elbatal, H. A.

2018-04-01

The main aim of the present work is to study by two collective optical and FTIR spectral measurements some prepared Nd2O3-doped soda lime phosphate glasses before and after gamma irradiation with dose (9 Mrad). The spectral data reveal two strong UV absorption peaks which are correlated with unavoidable trace iron impurities beside extended additional characteristic bands due to Nd3+ ions. Gamma irradiation on the undoped glass produces slight decrease of the intensity of the UV absorption and the generation of an induced visible band and these effects are controlled with two photochemical reduction of some Fe3+ ions to Fe2+ ions together with the formation of nonbridging oxygen hole center (NBOHC) or phosphorous oxygen hole center (POHC). The impact effect of gamma irradiation on the spectra of Nd2O3-doped glasses is limited due to suggested shielding behavior of neodymium ions. FT-infrared spectra show vibrational modes due to main Q2-Q3 phosphate groups and the response of gamma irradiation of the IR spectra is low and the limited variations are related to suggested changes in some bond angles and bond lengths which cause the observed decrease to the intensities of some IR bands.

Effects of solvent polarity on the absorption and fluorescence spectra of chlorogenic acid and caffeic acid compounds: determination of the dipole moments.

PubMed

Belay, Abebe; Libnedengel, Ermias; Kim, Hyung Kook; Hwang, Yoon-Hwae

2016-02-01

The effects of solvent polarity on absorption and fluorescence spectra of biologically active compounds (chlorogenic acid (CGA) and caffeic acids (CA)) have been investigated. In both spectra pronounced solvatochromic effects were observed with shift of emission peaks larger than the corresponding UV-vis electronic absorption spectra. From solvatochromic theory the ground and excited-state dipole moments were determined experimentally and theoretically. The differences between the excited and ground state dipole moment determined by Bakhshiev, Kawski-Chamma-Viallet and Reichardt equations are quite similar. The ground and excited-state dipole moments were determined by theoretical quantum chemical calculation using density function theory (DFT) method (Gaussian 09) and were also similar to the experimental results. The HOMO-LUMO energy band gaps for CGA and CFA were calculated and found to be 4.1119 and 1.8732 eV respectively. The results also indicated the CGA molecule is more stable than that of CFA. It was also observed that in both compounds the excited state possesses a higher dipole moment than that of the ground state. This confirms that the excited state of the hydroxycinnamic compounds is more polarized than that of the ground state and therefore is more sensitive to the solvent. Copyright © 2015 John Wiley & Sons, Ltd.

Multiconfigurational and DFT analyses of the electromeric formulation and UV-vis absorption spectra of the superoxide adduct of ferrous superoxide reductase.

PubMed

Attia, Amr A A; Cioloboc, Daniela; Lupan, Alexandru; Silaghi-Dumitrescu, Radu

2016-12-01

The putative initial adduct of ferrous superoxide reductase (SOR) with superoxide has been alternatively formulated as ferric-peroxo or ferrous-superoxo. The ~600-nm UV-vis absorption band proposed to be assigned to this adduct (either as sole intermediate in the SOR catalytic cycle, or as one of the two intermediates) has recently been interpreted as due to a ligand-to-metal charge transfer, involving thiolate and superoxide in a ferrous complex, contrary to an alternative assignment as a predominantly cysteine thiolate-to-ferric charge transfer in a ferric-peroxo electromer. In an attempt to clarify the electromeric formulation of this adduct, we report a computational study using a multiconfigurational complete active space self-consistent field (MC-CASSCF) wave function approach as well as modelling the UV-vis absorption spectra with time-dependent density functional theory (TD-DFT). The MC-CASSCF calculations disclose a weak interaction between iron and the dioxygenic ligand and a dominant configuration with an essentially ferrous-superoxo character. The computed UV-vis absorption spectra reveal a marked dependence on the choice of density functional - both in terms of location of bands and in terms of orbital contributors. For the main band in the visible region, besides the recently reported thiolate-to-superoxide charge transfer, a more salient, and less functional-dependent, feature is a thiolate-to-ferric iron charge transfer, consistent with a ferric-peroxo electromer. By contrast, the computed UV-vis spectra of a ferric-hydroperoxo SOR model match distinctly better (and with no qualitative dependence on the DFT methodology) the 600-nm band as due to a mainly thiolate-to-ferric character - supporting the assignment of the SOR "600-nm intermediate" as a S=5/2 ferric-hydroperoxo species. Copyright © 2016 Elsevier Inc. All rights reserved.

Application of Time-Dependent Density Functional and Natural Bond Orbital Theories to the UV-vis Absorption Spectra of Some Phenolic Compounds.

PubMed

Marković, Svetlana; Tošović, Jelena

2015-09-03

The UV-vis properties of 22 natural phenolic compounds, comprising anthraquinones, neoflavonoids, and flavonoids were systematically examined. The time-dependent density functional theory (TDDFT) approach in combination with the B3LYP, B3LYP-D2, B3P86, and M06-2X functionals was used to simulate the UV-vis spectra of the investigated compounds. It was shown that all methods exhibit very good (B3LYP slightly better) performance in reproducing the examined UV-vis spectra. However, the shapes of the Kohn-Sham molecular orbitals (MOs) involved in electronic transitions were misleading in constructing the MO correlation diagrams. To provide better understanding of redistribution of electron density upon excitation, the natural bond orbital (NBO) analysis was applied. Bearing in mind the spatial and energetic separations, as well as the character of the π bonding, lone pair, and π* antibonding natural localized molecular orbitals (NLMOs), the "NLMO clusters" were constructed. NLMO cluster should be understood as a part of a molecule characterized with distinguished electron density. It was shown that all absorption bands including all electronic transitions need to be inspected to fully understand the UV-vis spectrum of a certain compound, and, thus, to learn more about its UV-vis light absorption. Our investigation showed that the TDDFT and NBO theories are complementary, as the results from the two approaches can be combined to interpret the UV-vis spectra. Agreement between the predictions of the TDDFT approach and those based on the NLMO clusters is excellent in the case of major electronic transitions and long wavelengths. It should be emphasized that the approach for investigation of UV-vis light absorption based on the NLMO clusters is applied for the first time.

Structural and optical properties of Dy3+ doped Aluminofluoroborophosphate glasses for white light applications

NASA Astrophysics Data System (ADS)

Vijayakumar, M.; Mahesvaran, K.; Patel, Dinesh K.; Arunkumar, S.; Marimuthu, K.

2014-11-01

Dy3+ doped Aluminofluoroborophosphate glasses (BPAxD) have been prepared following conventional melt quenching technique and their structural and optical properties were explored through XRD, FTIR, optical absorption, excitation, emission and decay measurements. The coexistence of BO3 groups in borate rich domain and BO4 groups in phosphate rich domain have been confirmed through vibrational energy analysis. Negative bonding parameter (δ) values indicate that, the metal-ligand environment in the prepared glasses is of ionic in nature. The oscillator strength and the luminescent intensity Ωλ (λ = 2, 4 and 6) parameters are calculated using Judd-Ofelt theory. The radiative properties such as transition probability (A), stimulated emission cross-section (σpE) and branching ratios (β) have been calculated using JO intensity parameters and compared with the reported Dy3+ doped glasses. Concentration effect on Y/B intensity ratios and the CIE chromaticity coordinates were calculated for the generation of white light from the luminescence spectra. The color purity and the correlated color temperature were also calculated and the results are discussed in the present work. The decay of the 4F9/2 excited level is found to be single exponential for lower concentration and become non-exponential for higher concentration. The non-exponential behavior arises due to the efficient energy transfer between the Dy3+ ions through various non-radiative relaxation channels and the decay of the 4F9/2 excited level have been analyzed with IH model. Among the prepared glasses, BPA0.5D glass exhibits higher σpE, βR, σpE×σpE, σpE×Δλeff and η values for the 6H13/2 emission band which in turn specifies its suitability for white LEDs, laser applications and optical amplifiers.

Investigations on the spectroscopic properties of Dy3 + ions doped Zinc calcium tellurofluoroborate glasses

NASA Astrophysics Data System (ADS)

Karthikeyan, P.; Arunkumar, S.; Annapoorani, K.; Marimuthu, K.

2018-03-01

A new series of Dy3 + doped (30-x)B2O3 + 30TeO2 + 20CaCO3 + 10ZnO + 10ZnF2 + xDy2O3 (x = 0.01, 0.1, 0.5, 1, 2 and 3 in wt%) Zinc calcium tellurofluoroborate glasses were prepared and their structural, luminescence and excited state dynamics have been studied and reported. The structural properties have been characterized through XRD and FTIR studies to confirm the amorphous nature and to explore the presence of fundamental stretching vibrations. The bonding parameters (δ and β), optical band gap, Urbach's energy, oscillator strengths and Judd-Ofelt (JO) intensity parameters were calculated from the absorption spectra. The JO intensity parameters and the Y/B intensity ratio values have been used to explore the nature of the bonding and asymmetry around the Dy-ligand field environment. The luminescence properties of the present Dy3 + doped glasses have been analyzed through luminescence excited state dynamics and radiative properties such as transition probability (A), stimulated emission cross-section (σPE) branching ratio (β) and radiative lifetime (τR) values. The combination of dominant blue (4F9/2 → 6H15/2) and yellow (4F9/2 → 6H13/2) emissions generates white light emission in the CIE chromaticity diagram thus suggests that the present Dy3 + doped glasses are suitable for white light applications. The lifetime of the 4F9/2 excited state is found to decrease with the increase in Dy3 + ion content and the concentration quenching of the Dy3 + ions emission could be ascribed due to the resonant energy transfer and cross-relaxation processes. The non-exponential behavior of the decay curves has been analyzed with Inokuti-Hirayama model and the interaction between the Dy3 + ions is of electric dipole-dipole in nature.

Experimental and theoretical comparison of the O K-edge nonresonant inelastic X-ray scattering and X-ray absorption spectra of NaReO4.

PubMed

Bradley, Joseph A; Yang, Ping; Batista, Enrique R; Boland, Kevin S; Burns, Carol J; Clark, David L; Conradson, Steven D; Kozimor, Stosh A; Martin, Richard L; Seidler, Gerald T; Scott, Brian L; Shuh, David K; Tyliszczak, Tolek; Wilkerson, Marianne P; Wolfsberg, Laura E

2010-10-06

Accurate X-ray absorption spectra (XAS) of first row atoms, e.g., O, are notoriously difficult to obtain due to the extreme sensitivity of the measurement to surface contamination, self-absorption, and saturation affects. Herein, we describe a comprehensive approach for determining reliable O K-edge XAS data for ReO(4)(1-) and provide methodology for obtaining trustworthy and quantitative data on nonconducting molecular systems, even in the presence of surface contamination. This involves comparing spectra measured by nonresonant inelastic X-ray scattering (NRIXS), a bulk-sensitive technique that is not prone to X-ray self-absorption and provides exact peak intensities, with XAS spectra obtained by three different detection modes, namely total electron yield (TEY), fluorescence yield (FY), and scanning transmission X-ray microscopy (STXM). For ReO(4)(1-), TEY measurements were heavily influenced by surface contamination, while the FY and STXM data agree well with the bulk NRIXS analysis. These spectra all showed two intense pre-edge features indicative of the covalent interaction between the Re 5d and O 2p orbitals. Density functional theory calculations were used to assign these two peaks as O 1s excitations to the e and t(2) molecular orbitals that result from Re 5d and O 2p covalent mixing in T(d) symmetry. Electronic structure calculations were used to determine the amount of O 2p character (%) in these molecular orbitals. Time dependent-density functional theory (TD-DFT) was also used to calculate the energies and intensities of the pre-edge transitions. Overall, under these experimental conditions, this analysis suggests that NRIXS, STXM, and FY operate cooperatively, providing a sound basis for validation of bulk-like excitation spectra and, in combination with electronic structure calculations, suggest that NaReO(4) may serve as a well-defined O K-edge energy and intensity standard for future O K-edge XAS studies.

Effect of Pressure on Absorption Spectra of Lycopene in n-Hexane and CS2 Solvents

NASA Astrophysics Data System (ADS)

Zhang, Wei; Liu, Wei-Long; Zheng, Zhi-Ren; Huo, Ming-Ming; Li, Ai-Hua; Yang, Bin

2010-01-01

The absorption spectra of lycopene in n-hexane and CS2 are measured under high pressure and the results are compared with β-carotene. In the lower pressure range, the deviation from the linear dependence on the Bayliss parameter (BP) for β-carotene is more visible than that for lycopene. With the further increase of the solvent BP, the 0-0 bands of lycopene and β-carotene red shift at almost the same rate in n-hexane; however, the 0-0 band of lycopene red shifts slower than that of β-carotene in CS2. The origins of these diversities are discussed taking into account the dispersion interactions and structures of solute and solvent molecules.

Mid and Near-IR Absorption Spectra of PAH Neutrals and Ions in H20 Ice to Facilitate their Astronomical Detection

NASA Technical Reports Server (NTRS)

Bernstein, Max P.; Sandford, Scott A.; Allamandola, Louis J.

2004-01-01

Polycyclic aromatic hydrocarbons (PAHs) are believed to be the most abundant and widespread class of organic compounds in the universe, having been observed in emission towards energetic regions and absorption towards colder ones.We will present IR spectra of PAHs and their cations in H20 ice measured in the laboratory in the hopes that this will facilitate the detection of these features in the interstellar medium.

Analysis of Absorption Spectra of Polycyclic Aromatic Hydrocarbons in Gaseous- and Particle- Phase Emissions from Peat Fuel Combustion Under Controlled Conditions

NASA Astrophysics Data System (ADS)

Connolly, J. I.; Samburova, V.; Moosmüller, H.; Khlystov, A.

2015-12-01

Biomass and fossil fuel burning processes emit important organic pollutants called polycyclic aromatic hydrocarbons (PAHs) into the atmosphere. Smoldering combustion of peat is one of the largest contributors (up to 70%) of carbonaceous species and, therefore, it may be one of the main sources of these PAHs. PAHs can be detrimental to health, they are known to be potent mutagens and suspected carcinogens. They may also contribute to solar light absorption as the particles absorb in the blue and near ultraviolet (UV) region of the solar spectrum ("brown carbon" species). There is very little knowledge and large ambiguity regarding the contribution of PAHs to optical properties of organic carbon (OC) emitted from smoldering biomass combustion. This study focuses on quantifying and analyzing PAHs emitted from peat smoldering combustion to gain more knowledge on their optical properties. Five peat fuels collected in different regions of the world (Russia, USA) were burned under controlled conditions (e.g., relative humidity, combustion efficiency, fuel-moisture content) at the Desert Research Institute Biomass Burning facility (Reno, NV, USA). Combustion aerosols collected on TIGF filters followed by XAD resin cartridges were extracted and analyzed for gas-phase (semi-volatile) and particle-phase PAHs. Filter and XAD samples were extracted separately with dichloromethane followed by acetone using Accelerated Solvent Extractor (ACE 300, Dionex). To determine absorption properties, absorption spectra of extracts and standard PAHs were recorded between 190 and 900 nm with a UV/VIS spectrophotometer (PerkinElmer, Lambda 650). This poster will discuss the potential contribution of PAHs to brown carbon emitted from peat combustion and give a brief comparison with absorption spectra from biomass burning aerosols.

The Fundamental Quadrupole Band of (14)N2: Line Positions from High-Resolution Stratospheric Solar Absorption Spectra

NASA Technical Reports Server (NTRS)

Rinsland, C. P.; Zander, R.; Goldman, A.; Murcray, F. J.; Murcray, D. G.; Grunson, M. R.; Farmer, C. B.

1991-01-01

The purpose of this note is to report accurate measurements of the positions of O- and S-branch lines of the (1-0) vibration-rotation quadrupole band of molecular nitrogen ((14)N2) and improved Dunham coefficients derived from a simultaneous least-squares analysis of these measurements and selected infrared and far infrared data taken from the literature. The new measurements have been derived from stratospheric solar occultation spectra recorded with Fourier transform spectrometer (FTS) instruments operated at unapodized spectral resolutions of 0.002 and 0.01 /cm. The motivation for the present investigation is the need for improved N2 line parameters for use in IR atmospheric remote sensing investigations. The S branch of the N2 (1-0) quadrupole band is ideal for calibrating the line-of-sight airmasses of atmospheric spectra since the strongest lines are well placed in an atmospheric window, their absorption is relatively insensitive to temperature and is moderately strong (typical line center depths of 10 to 50% in high-resolution ground-based solar spectra and in lower stratospheric solar occultation spectra), and the volume mixing ratio of nitrogen is constant in the atmosphere and well known. However, a recent investigation has'shown the need to improve the accuracies of the N2 fine positions, intensities, air-broadened half-widths, and their temperature dependences to fully exploit this calibration capability (1). The present investigation addresses the problem of improving the accuracy of the N2 line positions.

Optical properties of Sm3+ -doped TeO2sbnd WO3sbnd GeO2 glasses for solid state lasers

NASA Astrophysics Data System (ADS)

Subrahmanyam, T.; Gopal, K. Rama; Suvarna, R. Padma; Jamalaiah, B. Chinna; Rao, Ch Srinivasa

2018-03-01

Sm3+ -doped oxyfluoride tellurite-tungsten (TWGSm) glasses were prepared by conventional melt quenching method. The optical properties were investigated through photoluminescence excitation, emission and luminescence decay analysis. The optical band gap energy was determined as ∼3.425 eV for 1.0 mol% of Sm3+ -doped TWGSm glass. Upon 404 nm excitation, the TWGSm glasses emit luminescence through 4G5/2 → 6H5/2 (563 nm), 4G5/2 → 6H7/2 (600 nm), 4G5/2 → 6H9/2 (645 nm) and 4G5/2 → 6H11/2 (705 nm) transitions. The Judd-Ofelt analysis was performed using absorption spectrum and obtained radiative parameters were used to estimate the laser characteristics of present glasses. The concentration of Sm3+ has been optimized as 1.0 mol% for efficient luminescence. The luminescence decay of 4G5/2 emission level was studied by monitoring the emission and excitation wavelengths at 600 and 404 nm, respectively. The experimental lifetime of 4G5/2 level was decrease with increase of Sm3+ concentration. The 1.0 mol% of Sm3+ -doped TWGSm glass could be the best choice for solid state visible lasers to emit orange luminescence.

Spectroscopy and excitation dynamics of the trivalent lanthanides Tm(3+) and Ho(3+) in LiYF4

NASA Technical Reports Server (NTRS)

Walsh, Brian M.

1995-01-01

A detailed study of the spectroscopy and excitation dynamics Tm3+ and Ho3+ in yttrium lithium fluoride, LiYF4 (YLF), has been done. Absorption spectroscopy is utilized in the Judd-Ofelt theory to determine radiative transition rates of spontaneous emission. Luminescence spectroscopy is studied under cw diode laser excitation at 785nm. The effect of dopant ion concentration and excitation power on the observed luminescence are considered in these measurements. An analysis of these measurements have been used to determine channels of energy transfer between Tm3+ and Ho3+ ions. The temporal response of Tm and Ho in singly and co-doped YLF to pulsed laser excitation with a Ti:Al2O3 laser and a CoMgF2 laser turned to various wavelengths have also been studied. The energy transfer mechanisms of cross relaxation, upconversion, and resonant energy transfer between Tm3+ and Ho3+ ions have been modeled, and the model parameters extracted by a fitting procedure to the measured temporal response curves. Rate equation approaches to modeling are presented that result in predictions of rate constants for energy transfer processes, as well as more conventional approaches to modeling such as the Forster-Dexter models, which give the interaction strengths in terms of microscopic interaction parameters.

Absorption and emission spectroscopic characterisation of 8-amino-riboflavin

NASA Astrophysics Data System (ADS)

Tyagi, A.; Zirak, P.; Penzkofer, A.; Mathes, T.; Hegemann, P.; Mack, M.; Ghisla, S.

2009-10-01

The flavin dye 8-amino-8-demethyl- D-riboflavin (AF) in the solvents water, DMSO, methanol, and chloroform/DMSO was studied by absorption and fluorescence spectroscopy. The first absorption band is red-shifted compared to riboflavin, and blue-shifted compared to roseoflavin (8-dimethylamino-8-demethyl-D-riboflavin). The fluorescence quantum yield of AF in the studied solvents varies between 20% and 50%. The fluorescence lifetimes were found to be in the 2-5 ns range. AF is well soluble in DMSO, weakly soluble in water and methanol, and practically insoluble in chloroform. The limited solubility causes AF aggregation, which was seen in differences between measured absorption spectra and fluorescence excitation spectra. Light scattering in the dye absorption region is discussed and approximate absorption cross-section spectra are determined from the combined measurement of transmission and fluorescence excitation spectra. The photo-stability of AF was studied by prolonged light exposure. The photo-degradation routes of AF are discussed.

The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

NASA Astrophysics Data System (ADS)

Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

2004-05-01

X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium: The Chandra Grating Spectra of XTE J1817-330

NASA Technical Reports Server (NTRS)

Gatuzz, E.; Garcia, J.; Menodza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

2013-01-01

We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra towards the X-ray low-mass binary XTE J1817-330. The 11-25 A broadband is described with a simple absorption model that takes into account the pileup effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 A) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the XSTAR code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain: a column density of N(sub H) = 1.38 +/- 0.01 x 10(exp 21) cm(exp -2); ionization parameter of log xi = .2.70 +/- 0.023; oxygen abundance of A(sub O) = 0.689(exp +0.015./-0.010); and ionization fractions of O I/O = 0.911, O II/O = 0.077, and O III/O = 0.012 that are in good agreement with previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse and Sauval (1998), a rescaling with the revision by Asplund et al. (2009) yields A(sub O) = 0.952(exp +0.020/-0.013, a value close to solar that reinforces the new standard. We identify several atomic absorption lines.K-alpha , K-beta, and K-gamma in O I and O II; and K-alpha in O III, O VI, and O VII--last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated to ISM cold absorption.

Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium:. [The Chandra Grating Spectra of XTE J1817-330

NASA Technical Reports Server (NTRS)

Gatuzz, E.; Garcia, J.; Mendoza, C.; Kallman, T. R.; Witthoeft, M.; Lohfink, A.; Bautista, M. A.; Palmeri, P.; Quinet, P.

2013-01-01

We present detailed analyses of oxygen K absorption in the interstellar medium (ISM) using four high-resolution Chandra spectra toward the X-ray low-mass binary XTE J1817-330. The 11-25 Angstrom broadband is described with a simple absorption model that takes into account the pile-up effect and results in an estimate of the hydrogen column density. The oxygen K-edge region (21-25 Angstroms) is fitted with the physical warmabs model, which is based on a photoionization model grid generated with the xstar code with the most up-to-date atomic database. This approach allows a benchmark of the atomic data which involves wavelength shifts of both the K lines and photoionization cross sections in order to fit the observed spectra accurately. As a result we obtain a column density of N(sub H) = 1.38 +/- 0.01 × 10(exp 21) cm(exp -2); an ionization parameter of log xi = -2.70 +/- 0.023; an oxygen abundance of A(sub O) = 0.689 (+0.015/-0.010); and ionization fractions of O(sub I)/O = 0.911, O(sub II)/O = 0.077, and O(sub III)/O = 0.012 that are in good agreement with results from previous studies. Since the oxygen abundance in warmabs is given relative to the solar standard of Grevesse & Sauval, a rescaling with the revision by Asplund et al. yields A(sub O) = 0.952(+0.020/-0.013), a value close to solar that reinforces the new standard.We identify several atomic absorption lines-K(alpha), K(beta), and K(gamma) in O(sub I) and O(sub II) and K(alpha) in O(sub III), O(sub VI), and O(sub VII)-the last two probably residing in the neighborhood of the source rather than in the ISM. This is the first firm detection of oxygen K resonances with principal quantum numbers n greater than 2 associated with ISM cold absorption.

MODELING THE HARD TeV SPECTRA OF BLAZARS 1ES 0229+200 AND 3C 66A WITH AN INTERNAL ABSORPTION SCENARIO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zacharopoulou, O.; Aharonian, F. A.; Khangulyan, D.

2011-09-10

We study the applicability of the idea of internal absorption of {gamma}-rays produced through synchrotron radiation of ultrarelativistic protons in highly magnetized blobs to 1ES 0229+200 and 3C 66A, the two TeV blazars which show unusually hard intrinsic {gamma}-ray spectra after being corrected for the intergalactic absorption. We show that for certain combinations of reasonable model parameters, even with quite modest energy requirements, the scenario allows a self-consistent explanation of the non-thermal emission of these objects in the keV, GeV, and TeV energy bands.

Subgap Absorption in Conjugated Polymers

DOE R&D Accomplishments Database

Sinclair, M.; Seager, C. H.; McBranch, D.; Heeger, A. J; Baker, G. L.

1991-01-01

Along with X{sup (3)}, the magnitude of the optical absorption in the transparent window below the principal absorption edge is an important parameter which will ultimately determine the utility of conjugated polymers in active integrated optical devices. With an absorptance sensitivity of < 10{sup {minus}5}, Photothermal Deflection Spectroscopy (PDS) is ideal for determining the absorption coefficients of thin films of transparent'' materials. We have used PDS to measure the optical absorption spectra of the conjugated polymers poly(1,4-phenylene-vinylene) (and derivitives) and polydiacetylene-4BCMU in the spectral region from 0.55 eV to 3 eV. Our spectra show that the shape of the absorption edge varies considerably from polymer to polymer, with polydiacetylene-4BCMU having the steepest absorption edge. The minimum absorption coefficients measured varied somewhat with sample age and quality, but were typically in the range 1 cm{sup {minus}1} to 10 cm{sup {minus}1}. In the region below 1 eV, overtones of C-H stretching modes were observed, indicating that further improvements in transparency in this spectral region might be achieved via deuteration of fluorination.

Absorption spectra of deuterated water at DF laser wavelengths.

PubMed

Bruce, C W; Jelinek, A V

1982-11-15

Absorption coefficients for deuterated water have been measured at twenty-two deuterium fluoride (DF) laser wavelengths and presented for atmospheric conditions classified as midlatitude-summer (14.3 T water vapor, standard temperature, and pressure). The HDO vapor was produced from a liquid mixture of H(2)O and D(2)O. The proportions of the resulting equilibrium mixture involving these constituents and HDO were calculated using previously measured constants and produced strong HDO absorption at the 3.5-4.1-microm DF laser wavelengths relative to those of the H(2)O and D(2)O vapors. Predicted and measured pressure dependencies at constant mixing ratios are compared for several laser wavelengths having strong HDO absorption. Absorption coefficients are in fairly close agreement with those of the current Air Force Geophysical Laboratory line-by-line model for standard temperature and pressure conditions. At lower total pressures, the comparison is less satisfactory and suggests inaccurate line parameters in the predictive data base.

The Associated Absorption Features in Quasar Spectra of the Sloan Digital Sky Survey. I. Mg II Absorption Doublets

NASA Astrophysics Data System (ADS)

Chen, Zhi-Fu; Huang, Wei-Rong; Pang, Ting-Ting; Huang, Hong-Yan; Pan, Da-Sheng; Yao, Min; Nong, Wei-Jing; Lu, Mei-Mei

2018-03-01

Using the SDSS spectra of quasars included in the DR7Q or DR12Q catalogs, we search for Mg II λλ2796, 2803 narrow absorption doublets in the spectra data around Mg II λ2798 emission lines. We obtain 17,316 Mg II doublets, within the redshift range of 0.3299 ≤ z abs ≤ 2.5663. We find that a velocity offset of υ r < 6000 km s‑1 is a safe boundary to constrain the vast majority of associated Mg II systems, although we find some doublets at υ r > 6000 km s‑1. If associated Mg II absorbers are defined by υ r < 6000 km s‑1, ∼33.3% of the absorbers are supposed to be contaminants of intervening systems. Removing the 33.3% contaminants, ∼4.5% of the quasars present at least one associated Mg II system with {W}{{r}}λ 2796≥slant 0.2 \\mathringA . The fraction of associated Mg II systems with high-velocity outflows correlates with the average luminosities of their central quasars, indicating a relationship between outflows and the quasar feedback power. The υ r distribution of the outflow Mg II absorbers is peaked at 1023 km s‑1, which is smaller than the corresponding value of the outflow C IV absorbers. The redshift number density evolution of absorbers (dn/dz) limited by υ r > ‑3000 km s‑1 differs from that of absorbers constrained by υ r > 2000 km s‑1. Absorbers limited by υ r > 2000 km s‑1 and higher values exhibit profiles similar to dn/dz. In addition, the dn/dz is smaller when absorbers are constrained with larger υ r . The distributions of equivalent widths, and the ratio of {W}rλ 2796/{W}rλ 2803, are the same for associated and intervening systems, and independent of quasar luminosity.

Amplification of anharmonicities in multiphoton vibrational action spectra.

PubMed

Calvo, F; Parneix, P

2012-01-16

The influence of one or several infrared laser pulses on the stability of bare and argon-tagged sodium chloride clusters is investigated theoretically by a combination of computational methods involving explicit molecular dynamics and properly calibrated unimolecular rate theories. The fragmentation spectra obtained by varying the laser frequency in the far-IR range is compared to the linear absorption spectrum resulting from the dipole moment autocorrelation function. Under appropriate laser field parameters, the action spectra are found to resemble the absorption spectra quite accurately in terms of positions, line widths, and even relative intensities. However, the action spectra exhibit residual and systematic redshifts of a few percent, which are partly due to the finite spectral bandwidth but are amplified by the progressive heating by the laser. A quantitative analysis suggests that these anharmonicity effects should generally arise upon multiple photon absorption. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

On the nature of absorption features toward nearby stars

NASA Astrophysics Data System (ADS)

Kohl, S.; Czesla, S.; Schmitt, J. H. M. M.

2016-06-01

Context. Diffuse interstellar absorption bands (DIBs) of largely unknown chemical origin are regularly observed primarily in distant early-type stars. More recently, detections in nearby late-type stars have also been claimed. These stars' spectra are dominated by stellar absorption lines. Specifically, strong interstellar atomic and DIB absorption has been reported in τ Boo. Aims: We test these claims by studying the strength of interstellar absorption in high-resolution TIGRE spectra of the nearby stars τ Boo, HD 33608, and α CrB. Methods: We focus our analysis on a strong DIB located at 5780.61 Å and on the absorption of interstellar Na. First, we carry out a differential analysis by comparing the spectra of the highly similar F-stars, τ Boo and HD 33608, whose light, however, samples different lines of sight. To obtain absolute values for the DIB absorption, we compare the observed spectra of τ Boo, HD 33608, and α CrB to PHOENIX models and carry out basic spectral modeling based on Voigt line profiles. Results: The intercomparison between τ Boo and HD 33608 reveals that the difference in the line depth is 6.85 ± 1.48 mÅ at the DIB location which is, however, unlikely to be caused by DIB absorption. The comparison between PHOENIX models and observed spectra yields an upper limit of 34.0 ± 0.3 mÅ for any additional interstellar absorption in τ Boo; similar results are obtained for HD 33608 and α CrB. For all objects we derive unrealistically large values for the radial velocity of any presumed interstellar clouds. In τ Boo we find Na D absorption with an equivalent width of 0.65 ± 0.07 mÅ and 2.3 ± 0.1 mÅ in the D2 and D1 lines. For the other Na, absorption of the same magnitude could only be detected in the D2 line. Our comparisons between model and data show that the interstellar absorption toward τ Boo is not abnormally high. Conclusions: We find no significant DIB absorption in any of our target stars. Any differences between modeled and

Finite temperature effects on the X-ray absorption spectra of energy related materials

NASA Astrophysics Data System (ADS)

Pascal, Tod; Prendergast, David

2014-03-01

We elucidate the role of room-temperature-induced instantaneous structural distortions in the Li K-edge X-ray absorption spectra (XAS) of crystalline LiF, Li2SO4, Li2O, Li3N and Li2CO3 using high resolution X-ray Raman spectroscopy (XRS) measurements and first-principles density functional theory calculations within the eXcited electron and Core Hole (XCH) approach. Based on thermodynamic sampling via ab-initio molecular dynamics (MD) simulations, we find calculated XAS in much better agreement with experiment than those computed using the rigid crystal structure alone. We show that local instantaneous distortion of the atomic lattice perturbs the symmetry of the Li 1 s core-excited-state electronic structure, broadening spectral line-shapes and, in some cases, producing additional spectral features. This work was conducted within the Batteries for Advanced Transportation Technologies (BATT) Program, supported by the U.S. Department of Energy Vehicle Technologies Program under Contract No. DE-AC02-05CH11231.

Two-photon absorption spectra of luminescent conducting polymers measured over wide spectral range

NASA Astrophysics Data System (ADS)

Meyer, Ron K.; Liess, Martin; Benner, Robert E.; Gellermann, Werner; Vardeny, Z. Valy; Ozaki, Masanori; Yoshino, Katsumi; Ding, Yi W.; Barton, Thomas J.

1997-12-01

We report the two-photon absorption (TPA) spectra of poly(2,5-dibutoxy-p-phenylene acetylene) (PPA-DBO), poly(2,5-dioctyloxy-p-phenylene vinylene) (PPV-DOO), and poly(3-hexylthiophene) in the spectral range extending from 576 nm to 846 nm. Using the Z-scan technique on the polymers in solution, we measured a strong two-photon allowed transition in all three materials which we attribute to the mAg essential state. In the case of PPA-DBO and PPV-DOO, TPA peaks were coincident with dispersion in the nonlinear refractive indices as detected by reduced aperture Z scan. In all three polymers this peak occurs at approximately 1.3 the bandgap energy. The excitonic nature of the excited electronic states in PPA-DBO is indicated by the lack of a TPA band at or near the 1Bu exciton position. Saturation was observed in the nonlinear index of refraction near spectral peaks, as well as an apparent reverse Kramers- Kronig effect.

First light with Trident: multi-platform synthetic quasar spectra

NASA Astrophysics Data System (ADS)

Silvia, Devin W.; Hummels, Cameron B.; Smith, Britton

2017-01-01

Observational efforts to better understand the nature of the intergalactic and circumgalactic media have relied heavily on the information encoded in the absorption line systems of quasar spectra. Numerical simulations of large-scale structure and galaxy evolution are well-suited to explore the properties of those same media owing to the relative ease with which one can access physical quantities from complex, three-dimensional data. However, a difficulty arises when one tries to make direct “apple-to-apples” comparisons between observed spectra and simulated data. In an effort to provide a common language capable of linking theory and observation, we announce the release of Trident. Trident is a publicly available software tool that enables the creation of realistic synthetic absorption spectra from virtually all widely-used hydrodynamics simulation codes. Through user-controlled levels of spectral realism, direct comparisons between simulated and observed data become not only possible, but greatly simplified. We present the methods for extracting artificial quasar sightlines and generating spectra as well as early-stage applications of those spectra to intergalactic and circumgalactic absorption line studies.

Investigation of absorption spectra of Gafchromic EBT2 film's components and their impact on UVR dosimetry

NASA Astrophysics Data System (ADS)

Aydarous, Abdulkadir

2016-05-01

The absorption spectra of the EBT2 film's components were investigated in conjunction with its use for UVA dosimetry. The polyester (topside) and adhesive layers of the EBT2 film have been gently removed. Gafchromic™ EBT2 films with and without the protected layers (polyester and adhesive) were exposed to UVR of 365 nm for different durations. Thereafter, the UV-visible spectra were measured using a UV-visible spectrophotometer (Model Spectro Dual Split Beam, UVS-2700). Films were digitized using a Nikon CanoScan 9000F Mark II flatbed scanner. The dosimetric characteristics including film's uniformity, reproducibility and post-irradiation development were investigated. The color development of EBT2 and new modified EBT2 (EBT2-M) films irradiated with UVA was relatively stable (less than 1%) immediately after exposure. Based on this study, the sensitivity of EBT2 to UVR with wavelength between ~350 nm and ~390 nm can significantly be enhanced if the adhesive layer (~25 μm) is removed. The polyester layer plays almost no part on absorbing UVR with wavelength between ~320 nm and ~390 nm. Furthermore, various sensitivities for the EBT2-M film has been established depending on the wavelength of analysis.

Electronic absorption and MCD spectra of M sub 2 (TMB) sub 4 sup 2+ , M = Rh and Ir. A valence-bond description of the upper electronic excited states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, D.C.; Miskowski, V.M.; Gray, H.B.

1990-05-09

Electronic absorption and magnetic circular dichroism (MCD) spectra of Rh{sub 2}(TMB){sub 4}{sup 2+} and Ir{sub 2}(TMB){sub 4}{sup 2+} are reported along with polarized single-crystal absorption spectra of (Ir{sub 2}(TMB){sub 4})(B(C{sub 6}H{sub 5}){sub 4}){sub 2} {times} CH{sub 3}C{sub 6}H{sub 5} (TMB = 2,5-diisocyano-2,5-dimethylhexane). Interpretation of the spectra is based on a valence-bond model that accommodates highly perturbed dimer transitions as well as monomer-like dimer excitations. In this model, half of the dimer electronic excited states possess ionic character; these states involve metal-to-metal charge transfer (MMCT). The most prominent of the weak features ({approximately} 430 nm) is assigned to the transition tomore » {sup 1}A{sub 1g} (a single-center d{sub z{sup 2}} {yields} p{sub z} excitation). High-energy features ({lambda} < 300 nm) in the spectra of Rh{sub 2}(TMB){sub 4}{sup 2+} and Ir{sub 2}(TMB){sub 4}{sup 2+} are assigned to MMCT arising from d{sub xzyz} {yields} p{sub z} excitations.« less

Temperature dependence of Fe/++/ crystal field spectra - Implications to mineralogical mapping of planetary surfaces

NASA Technical Reports Server (NTRS)

Sung, C.-M.; Singer, R. B.; Parkin, K. M.; Burns, R. G.; Osborne, M.

1977-01-01

Results are reported of Fe(++) crystal field spectral measurements for olivines and pyroxenes up to 400 C. The results are correlated with crystal structure data at elevated temperatures, and the validity of remote-sensed identifications of minerals on hot surfaces of the moon and Mercury is assessed. Two techniques were used to obtain spectra of minerals at elevated temperatures using a spectrophotometer. One employed a diamond cell assembly or a specially designed sample holder to measure polarized absorption spectra of heated single crystals. For the other technique, a sample holder was designed to attach to a diffuse reflectance accessory to produce reflectance spectra of heated powdered samples. Polarized absorption spectra of forsterite at 20-400 C are shown in a graph. Other graphs show the temperature dependence of Fe(++) crystal field bands in olivines, the diffuse reflectance spectra of olivine at 40-400 C, the polarization absorption spectra of orthopyroxene at 30-400 C, the diffuse reflectance spectra of pigeonite at 40-400 C, and unpolarized absorption spectra of lunar pyroxene from Apollo 15 rock 15058.

Absorption spectra of localized surface plasmon resonance observed in an inline/picoliter spectrometer cell fabricated by a near ultraviolet femtosecond laser

NASA Astrophysics Data System (ADS)

Shiraishi, Masahiko; Nishiyama, Michiko; Watanabe, Kazuhiro; Kubodera, Shoichi

2018-03-01

Absorption spectra based on localized surface plasmon resonance (LSPR) were obtained with an inline/picoliter spectrometer cell. The spectrometer cell was fabricated into an optical glass fiber by focusing a near UV (NUV) femtosecond laser pulses at a wavelength of 400 nm with an energy of 30 μJ. The laser beam was focused from two directions opposite to each other to fabricate a through-hole spectrometer cell. A diameter of the cell was approximately 3 μm, and the length was approximately 62.5 μm, which was nearly equal to the core diameter of the optical fiber. Liquid solution of gold nanoparticles (GNPs) with a diameter of 5-10 nm was injected into the spectrometer cell with its volume of 0.4 pL. The absorption peak centered at 518 nm was observed. An increase of absorption associated with the increase of the number of nanoparticles was in agreement with the numerical calculation based on the Lambert-Beer law.

Absorption spectra and nonlinear transmission (at λ = 2940 nm) of a diffusion-doped Fe{sup 2+}:ZnSe single crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bufetova, G A; Gulyamova, E S; Il'ichev, N N

2015-06-30

Transmission spectra of a ZnSe sample diffusion-doped with Fe{sup 2+} ions have been measured in the wavelength range 500 – 7000 nm. A broad absorption band in the range 500 – 1500 nm has been observed in both doped and undoped regions of the sample. This band is possibly due to deviations from stoichiometry in the course of diffusion doping. The transmission of the Fe{sup 2+}:ZnSe sample at a wavelength of 2940 nm has been measured at various dopant concentrations and high peak pulse intensities (up to 8 MW cm{sup -2}). The samples have been shown to be incompletely bleached:more » during a laser pulse, the transmission first increases, reaches a maximum, and then falls off. Our results suggest that the incomplete bleaching cannot be accounted for by excited-state absorption. The incomplete bleaching (as well as the transmission maximum) is due to the heating of the sample, which leads to a reduction in upper level lifetime and, accordingly, to an increase in absorption saturation intensity. (nonlinear optical phenomena)« less

Review of the absorption spectra of solid O2 and N2 as they relate to contamination of a cooled infrared telescope

NASA Technical Reports Server (NTRS)

Smith, S. M.

1977-01-01

During contamination studies for the liquid helium cooled shuttle infrared telescope facility, a literature search was conducted to determine the absorption spectra of the solid state of homonuclear molecules of O2 and N2, and ascertain what laboratory measurements of the solid have been made in the infrared. With the inclusion of one unpublished spectrum, the absorption spectrum of the solid oxygen molecule has been thoroughly studied from visible to millimeter wavelengths. Only two lines appear in the solid that do not also appear in the gas or liquid. A similar result is implied for the solid nitrogen molecule because it also is homonuclear. The observed infrared absorption lines result from lattice modes of the alpha phase of the solid, and disappear at the warmer temperatures of the beta, gamma, and liquid phases. They are not observed from polycrystalline forms of O2, while strong scattering is. Scattering, rather than absorption, is considered to be the principal natural contamination problem for cooled infrared telescopes in low earth orbit.

Novel absorptivity centering method utilizing normalized and factorized spectra for analysis of mixtures with overlapping spectra in different matrices using built-in spectrophotometer software

NASA Astrophysics Data System (ADS)

Lotfy, Hayam Mahmoud; Omran, Yasmin Rostom

2018-07-01

A novel, simple, rapid, accurate, and economical spectrophotometric method, namely absorptivity centering (a-Centering) has been developed and validated for the simultaneous determination of mixtures with partially and completely overlapping spectra in different matrices using either normalized or factorized spectrum using built-in spectrophotometer software without a need of special purchased program. Mixture I (Mix I) composed of Simvastatin (SM) and Ezetimibe (EZ) is the one with partial overlapping spectra formulated as tablets, while mixture II (Mix II) formed by Chloramphenicol (CPL) and Prednisolone acetate (PA) is that with complete overlapping spectra formulated as eye drops. These procedures do not require any separation steps. Resolution of spectrally overlapping binary mixtures has been achieved getting recovered zero-order (D0) spectrum of each drug, then absorbance was recorded at their maxima 238, 233.5, 273 and 242.5 nm for SM, EZ, CPL and PA, respectively. Calibration graphs were established with good correlation coefficients. The method shows significant advantages as simplicity, minimal data manipulation besides maximum reproducibility and robustness. Moreover, it was validated according to ICH guidelines. Selectivity was tested using laboratory-prepared mixtures. Accuracy, precision and repeatability were found to be within the acceptable limits. The proposed method is good enough to be applied to an assay of drugs in their combined formulations without any interference from excipients. The obtained results were statistically compared with those of the reported and official methods by applying t-test and F-test at 95% confidence level concluding that there is no significant difference with regard to accuracy and precision. Generally, this method could be used successfully for the routine quality control testing.

Novel absorptivity centering method utilizing normalized and factorized spectra for analysis of mixtures with overlapping spectra in different matrices using built-in spectrophotometer software.

PubMed

Lotfy, Hayam Mahmoud; Omran, Yasmin Rostom

2018-07-05

A novel, simple, rapid, accurate, and economical spectrophotometric method, namely absorptivity centering (a-Centering) has been developed and validated for the simultaneous determination of mixtures with partially and completely overlapping spectra in different matrices using either normalized or factorized spectrum using built-in spectrophotometer software without a need of special purchased program. Mixture I (Mix I) composed of Simvastatin (SM) and Ezetimibe (EZ) is the one with partial overlapping spectra formulated as tablets, while mixture II (Mix II) formed by Chloramphenicol (CPL) and Prednisolone acetate (PA) is that with complete overlapping spectra formulated as eye drops. These procedures do not require any separation steps. Resolution of spectrally overlapping binary mixtures has been achieved getting recovered zero-order (D 0 ) spectrum of each drug, then absorbance was recorded at their maxima 238, 233.5, 273 and 242.5 nm for SM, EZ, CPL and PA, respectively. Calibration graphs were established with good correlation coefficients. The method shows significant advantages as simplicity, minimal data manipulation besides maximum reproducibility and robustness. Moreover, it was validated according to ICH guidelines. Selectivity was tested using laboratory-prepared mixtures. Accuracy, precision and repeatability were found to be within the acceptable limits. The proposed method is good enough to be applied to an assay of drugs in their combined formulations without any interference from excipients. The obtained results were statistically compared with those of the reported and official methods by applying t-test and F-test at 95% confidence level concluding that there is no significant difference with regard to accuracy and precision. Generally, this method could be used successfully for the routine quality control testing. Copyright © 2018 Elsevier B.V. All rights reserved.

Method and apparatus for aerosol particle absorption spectroscopy

DOEpatents

Campillo, Anthony J.; Lin, Horn-Bond

1983-11-15

A method and apparatus for determining the absorption spectra, and other properties, of aerosol particles. A heating beam source provides a beam of electromagnetic energy which is scanned through the region of the spectrum which is of interest. Particles exposed to the heating beam which have absorption bands within the band width of the heating beam absorb energy from the beam. The particles are also illuminated by light of a wave length such that the light is scattered by the particles. The absorption spectra of the particles can thus be determined from an analysis of the scattered light since the absorption of energy by the particles will affect the way the light is scattered. Preferably the heating beam is modulated to simplify the analysis of the scattered light. In one embodiment the heating beam is intensity modulated so that the scattered light will also be intensity modulated when the particles absorb energy. In another embodiment the heating beam passes through an interferometer and the scattered light reflects the Fourier Transform of the absorption spectra.

Dynamical effects in x-ray absorption spectra of graphene and monolayered h -BN on Ni(111)

NASA Astrophysics Data System (ADS)

Rusz, J.; Preobrajenski, A. B.; Ng, May Ling; Vinogradov, N. A.; Mårtensson, N.; Wessely, O.; Sanyal, B.; Eriksson, O.

2010-02-01

We present first-principles calculations of x-ray absorption spectra of graphene and hexagonal BN monolayer on the Ni(111) substrate. Including dynamical core-hole screening effects according to the theory of Mahan-Nozières-de Dominics (MND) results in an overall good agreement with previously published experimental data and our new observations. This approach provides a unified first-principles description of the electronic structure and core excitations in the sp2 -bonded materials on metal surfaces and a better insight into the dynamics of screening effects. We demonstrate in particular that the observed spectral features of graphene and hexagonal BN can be well reproduced with the MND theory, and that they are determined by a delicate balance between initial and final-state effects.

UV laser long-path absorption spectroscopy

NASA Technical Reports Server (NTRS)

Dorn, Hans-Peter; Brauers, Theo; Neuroth, Rudolf

1994-01-01

Long path Differential Optical Absorption Spectroscopy (DOAS) using a picosecond UV laser as a light source was developed in our institute. Tropospheric OH radicals are measured by their rotational absorption lines around 308 nm. The spectra are obtained using a high resolution spectrograph. The detection system has been improved over the formerly used optomechanical scanning device by application of a photodiode array which increased the observed spectral range by a factor of 6 and which utilizes the light much more effectively leading to a considerable reduction of the measurement time. This technique provides direct measurements of OH because the signal is given by the product of the absorption coefficient and the OH concentration along the light path according to Lambert-Beers law. No calibration is needed. Since the integrated absorption coefficient is well known the accuracy of the measurement essentially depends on the extent to which the OH absorption pattern can be detected in the spectra. No interference by self generated OH radicals in the detection lightpath has been observed. The large bandwidth (greater than 0.15 nm) and the high spectral resolution (1.5 pm) allows absolute determination of interferences by other trace gas absorptions. The measurement error is directly accessible from the absorption-signal to baseline-noise ratio in the spectra. The applicability of the method strongly depends on visibility. Elevated concentrations of aerosols lead to considerable attenuation of the laser light which reduces the S/N-ratio. In the moderately polluted air of Julich, where we performed a number of OH measurement spectra. In addition absorption features of unidentified species were frequently detected. A quantitative deconvolution even of the known species is not easy to achieve and can leave residual structures in the spectra. Thus interferences usually increase the noise and deteriorate the OH detection sensitivity. Using diode arrays for sensitive

Vibronic spectra of Cu(2+) in ZnTe

NASA Technical Reports Server (NTRS)

Volz, M. P.; Su, C.-H.; Lehoczky, S. L.; Szofran, F. R.

1992-01-01

Infrared-absorption spectra of substitutional Cu(2+) ions in ZnTe have been measured at 4.6 K. Several distinct absorption peaks are observed between 800 and 2000/cm. Absorption peaks at 1002 and 1069/cm are identified as zero-phonon lines arising from 2T2-2E transitions. Between 1069 and 2000/cm, several sets of sharp absorption lines are seen to recur regularly at an interval of 210/cm, corresponding to the LO phonon energy. Within each set distinct vibronic sidebands that cannot be identified with critical-point energies of TA, LA, TO or LO phonon modes are observed. A dynamic Jahn-Teller effect, involving coupling between a single-phonon mode and the electronic states of the 2E level, is proposed to account for the observed spectra.

Ultrafast X-Ray Absorption Spectroscopy of Isochorically Heated Warm Dense Matter

NASA Astrophysics Data System (ADS)

Engelhorn, Kyle Craig

This dissertation will present a series of new tools, together with new techniques, focused on the understanding of warm and dense matter. We report on the development of a high time resolution and high detection efficiency x-ray camera. The camera is integrated with a short pulse laser and an x-ray beamline at the Advanced Light Source synchrotron. This provides an instrument for single shot, broadband x-ray absorption spectroscopy of warm and dense matter with 2 picosecond time resolution. Warm and dense matter is created by isochorically heating samples of known density with an ultrafast optical laser pulse, and X-ray absorption spectroscopy probes the unoccupied electronic density of states before the onset of hydrodynamic expansion and electron-ion equilibrium is reached. Measured spectra from a variety of materials are compared with first principle molecular dynamics and density functional theory calculations. In heated silicon dioxide spectra, two novel pre-edge features are observed, a peak below the band gap and absorption within the band gap, while a reduction was observed in the features above the edge. From consideration of the calculated spectra, the peak below the gap is attributed to valence electrons that have been promoted to the conduction band, the absorption within the gap is attributed to broken Si-O bonds, and the reduction above the edge is attributed to an elevated ionic temperature. In heated copper spectra, a time-dependent shift and broadening of the absorption edge are observed, consistent with and elevated electron temperature. The temporal evolution of the electronic temperature is accurately determined by fitting the measured spectra with calculated spectra. The electron-ion equilibration is studied with a two-temperature model. In heated nickel spectra, a shift of the absorption edge is observed. This shift is found to be inconsistent with calculated spectra and independent of incident laser fluence. A shift of the chemical potential

Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

George, S.DeBeer; Petrenko, T.; Neese, F.

2009-05-14

Iron K-edge X-ray absorption pre-edge features have been calculated using a time-dependent density functional approach. The influence of functional, solvation, and relativistic effects on the calculated energies and intensities has been examined by correlation of the calculated parameters to experimental data on a series of 10 iron model complexes, which span a range of high-spin and low-spin ferrous and ferric complexes in O{sub h} to T{sub d} geometries. Both quadrupole and dipole contributions to the spectra have been calculated. We find that good agreement between theory and experiment is obtained by using the BP86 functional with the CP(PPP) basis setmore » on the Fe and TZVP one of the remaining atoms. Inclusion of solvation yields a small improvement in the calculated energies. However, the inclusion of scalar relativistic effects did not yield any improved correlation with experiment. The use of these methods to uniquely assign individual spectral transitions and to examine experimental contributions to backbonding is discussed.« less

Luminescence and Absorption Spectra of C sub 60 Films

DTIC Science & Technology

1991-02-01

J. McKeirnan, J.L Zink, R. Stanley Williams, W.M. Tong, D.A.A. Ohlberg and R.L. Whetten Submitted t DTIC Physical Review Letters ELECT E SFEB 2? 7,19...range at 20K. A 1400 cm"& progression in the a soccerball inflation mode is observed. The low-temperature absorption spectrum exhibits similar fine...ag soccerball inflation mode is observed. The low temperature absorption spectrum exhibits similar fine structure. The characterization of vibronic

Signatures in vibrational and UV-visible absorption spectra for identifying cyclic hydrocarbons by graphene fragments.

PubMed

Meng, Yan; Wu, Qi; Chen, Lei; Wangmo, Sonam; Gao, Yang; Wang, Zhigang; Zhang, Rui-Qin; Ding, Dajun; Niehaus, Thomas A; Frauenheim, Thomas

2013-12-21

To promote possible applications of graphene in molecular identification based on stacking effects, in particular in recognizing aromatic amino acids and even sequencing nucleobases in life sciences, we comprehensively study the interaction between graphene segments and different cyclic organic hydrocarbons including benzene (C6H6), cyclohexane (C6H12), benzyne (C6H4), cyclohexene (C6H10), 1,3-cyclohexadiene (C6H8(1)) and 1,4-cyclohexadiene (C6H8(2)), using the density-functional tight-binding (DFTB) method. Interestingly, we find obviously different characteristics in Raman vibrational and ultraviolet visible absorption spectra of the small molecules adsorbed on the graphene sheet. Specifically, we find that both spectra involve clearly different characteristic peaks, belonging to the different small molecules upon adsorption, with the ones of ionized molecules being more substantial. Further analysis shows that the adsorptions are almost all due to the presence of dispersion energy in neutral cases and involve charge transfer from the graphene to the small molecules. In contrast, the main binding force in the ionic adsorption systems is the electronic interaction. The results present clear signatures that can be used to recognize different kinds of aromatic hydrocarbon rings on graphene sheets. We expect that our findings will be helpful for designing molecular recognition devices using graphene.

On the nitrogen-induced far-infrared absorption spectra

NASA Technical Reports Server (NTRS)

Dore, P.; Filabozzi, A.

1987-01-01

The rototranslational absorption spectrum of gaseous N2 is analyzed, considering quadrupolar and hexadecapolar induction mechanisms. The available experimental data are accounted for by using a line-shape analysis in which empirical profiles describe the single-line translational profiles. Thus, a simple procedure is derived that allows the prediction of the N2 spectrum at any temperature. On the basis of the results obtained for the pure gas, a procedure to compute the far-infrared spectrum of the N2-Ar gaseous mixture is also proposed. The good agreement between computed and experimental N2-Ar data indicates that it is possible to predict the far-infrared absorption induced by N2 on the isotropic polarizability of any interacting partner.

Ultraviolet and infrared absorption spectra of Cr2O3 doped-sodium metaphosphate, lead metaphosphate and zinc metaphosphate glasses and effects of gamma irradiation: a comparative study.

PubMed

Marzouk, M A; ElBatal, F H; Abdelghany, A M

2013-10-01

The effects of gamma irradiation on spectral properties of Cr2O3-doped phosphate glasses of three varieties, namely sodium metaphosphate, lead metaphosphate and zinc metaphosphate have been investigated. Optical spectra of the undoped samples reveal strong UV absorption bands which are attributed to the presence of trace iron impurities in both the sodium and zinc phosphate glasses while the lead phosphate glass exhibits broad UV near visible bands due to combined absorption of both trace iron impurities and divalent lead ions. The effect of chromium oxide content has been investigated. The three different Cr2O3-doped phosphate glasses reveal spectral visible bands varying in their position and intensity and splitting due to the different field strengths of the Na(+), Pb(2+), Zn(2+) cations, together with the way they are housed in the network and their effects on the polarisability of neighboring oxygens ligands. The effects of gamma irradiation on the optical spectral properties of the various glasses have been compared. The different effects for lead and zinc phosphate are related to the ability of Pb(2+), and Zn(2+) to form additional structural units causing stability of the network towards gamma irradiation. Also, the introduction of the transition metal chromium ions reveals some shielding behavior towards irradiation. Infrared absorption spectra of the three different base phosphate glasses show characteristic vibrations due to various phosphate groups depending on the type of glass and Cr2O3 is observed to slightly affect the IR spectra. Gamma irradiation causes minor variations in some of the intensities of the IR spectra but the main characteristic bands due to phosphate groups remain in their number and position. Copyright © 2013 Elsevier B.V. All rights reserved.

Computational study of the absorption spectrum of defected ZnS nanoparticles

NASA Astrophysics Data System (ADS)

Michos, F. I.; Sigalas, M. M.

2018-04-01

Energy levels and absorption spectra of defected ZnS nanoparticles (NPs) were calculated with Density Functional Theory (DFT) and Time Dependent DFT. Several types of defects were examined such as vacancies and substitutions. NPs with S vacancies were found to have their absorption spectra moved to lower energies well inside the visible spectrum with significantly high oscillator strength. Also, NPs with substitution of S atoms with Cl, Br, or I showed significant absorption. In general, this type of defect moves the absorption spectra in lower energies, thus bringing the absorption edge into the visible spectrum, while the unperturbed NPs have absorption edges in the UV region. In addition, ZnS NPs are made from more abundant and less toxic elements than the more commonly used CdSe NPs. For that reason, they may find significant applications in solar cells and other photonic applications, as well as in biosensing applications as biomarkers.

Particle-in-a-box model of exciton absorption and electroabsorption in conjugated polymers

NASA Astrophysics Data System (ADS)

Pedersen, Thomas G.

2000-12-01

The recently proposed particle-in-a-box model of one-dimensional excitons in conjugated polymers is applied in calculations of optical absorption and electroabsorption spectra. It is demonstrated that for polymers of long conjugation length a superposition of single exciton resonances produces a line shape characterized by a square-root singularity in agreement with experimental spectra near the absorption edge. The effects of finite conjugation length on both absorption and electroabsorption spectra are analyzed.

Structure and electronic absorption spectra of nematogenic alkoxycinnamic acids - a comparative study based on semiempirical and DFT methods.

PubMed

Praveen, Pogula Lakshmi; Ojha, Durga Prasad

2012-04-01

Structure of nematogenic p-n-Alkoxy cinnamic acids (nOCAC) with various alkyl chain carbon atoms (n = 2, 4, 6, 8) has been optimized using density functional B3LYP with 6-31+G (d) basis set using crystallographic geometry as input. Using the optimized geometry, electronic structure of the molecules has been evaluated using the semiempirical methods and DFT calculations. Molecular charge distribution and phase stability of these systems have been analyzed based on Mulliken and Löwdin population analysis. The electronic absorption spectra of nOCAC molecules have been simulated by employing DFT method, semiempirical CNDO/S and INDO/S parameterizations. Two types of calculations have been performed for model systems containing single and double molecules of nOCAC. UV-Visible spectra have been calculated for all single molecules. The UV stability of the molecules has been discussed in light of the electronic transition oscillator strength (f). The dimer complexes of higher homologues (n = 6, 8) have also been reported to enable the comparison between single and double molecules.

Molecular dynamics simulation and TDDFT study of the structures and UV-vis absorption spectra of MCT-β-CD and its inclusion complexes.

PubMed

Lu, Huijuan; Wang, Yujiao; Xie, Xiaomei; Chen, Feifei; Li, Wei

2015-01-01

In this research, the inclusion ratios and inclusion constants of MCT-β-CD/PERM and MCT-β-CD/CYPERM inclusion complexes were measured by UV-vis and fluorescence spectroscopy. The inclusion ratios are both 1:1, and the inclusion constants are 60 and 342.5 for MCT-β-CD/PERM and MCT-β-CD/CYPERM, respectively. The stabilities of inclusion complexes were investigated by MD simulation. MD shows that VDW energy plays a vital role in the stability of inclusion complex, and the destruction of inclusion complex is due to the increasing temperature. The UV-vis absorption spectra of MCT-β-CD and its inclusion complexes were studied by time-dependent density functional theory (TDDFT) method employing BLYP-D3, B3LYP-D3 and M06-2X-D3 functionals. BLYP-D3 well reproduces the UV-vis absorption spectrum and reveals that the absorption bands of MCT-β-CD mainly arise from n→π(∗) and n→σ(∗) transition, and those of inclusion complexes mainly arise from intramolecular charge transfer (ICT). ICT results in the shift of main absorption bands of MCT-β-CD. Copyright © 2015 Elsevier B.V. All rights reserved.

Importance of the green color, absorption gradient, and spectral absorption of chloroplasts for the radiative energy balance of leaves.

PubMed

Kume, Atsushi

2017-05-01

Terrestrial green plants absorb photosynthetically active radiation (PAR; 400-700 nm) but do not absorb photons evenly across the PAR waveband. The spectral absorbance of photosystems and chloroplasts is lowest for green light, which occurs within the highest irradiance waveband of direct solar radiation. We demonstrate a close relationship between this phenomenon and the safe and efficient utilization of direct solar radiation in simple biophysiological models. The effects of spectral absorptance on the photon and irradiance absorption processes are evaluated using the spectra of direct and diffuse solar radiation. The radiation absorption of a leaf arises as a consequence of the absorption of chloroplasts. The photon absorption of chloroplasts is strongly dependent on the distribution of pigment concentrations and their absorbance spectra. While chloroplast movements in response to light are important mechanisms controlling PAR absorption, they are not effective for green light because chloroplasts have the lowest spectral absorptance in the waveband. With the development of palisade tissue, the incident photons per total palisade cell surface area and the absorbed photons per chloroplast decrease. The spectral absorbance of carotenoids is effective in eliminating shortwave PAR (<520 nm), which contains much of the surplus energy that is not used for photosynthesis and is dissipated as heat. The PAR absorptance of a whole leaf shows no substantial difference based on the spectra of direct or diffuse solar radiation. However, most of the near infrared radiation is unabsorbed and heat stress is greatly reduced. The incident solar radiation is too strong to be utilized for photosynthesis under the current CO 2 concentration in the terrestrial environment. Therefore, the photon absorption of a whole leaf is efficiently regulated by photosynthetic pigments with low spectral absorptance in the highest irradiance waveband and through a combination of pigment density

Accounting for nanometer-thick adventitious carbon contamination in X-ray absorption spectra of carbon-based materials.

PubMed

Mangolini, Filippo; McClimon, J Brandon; Rose, Franck; Carpick, Robert W

2014-12-16

Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy is a powerful technique for characterizing the composition and bonding state of nanoscale materials and the top few nanometers of bulk and thin film specimens. When coupled with imaging methods like photoemission electron microscopy, it enables chemical imaging of materials with nanometer-scale lateral spatial resolution. However, analysis of NEXAFS spectra is often performed under the assumption of structural and compositional homogeneity within the nanometer-scale depth probed by this technique. This assumption can introduce large errors when analyzing the vast majority of solid surfaces due to the presence of complex surface and near-surface structures such as oxides and contamination layers. An analytical methodology is presented for removing the contribution of these nanoscale overlayers from NEXAFS spectra of two-layered systems to provide a corrected photoabsorption spectrum of the substrate. This method relies on the subtraction of the NEXAFS spectrum of the overlayer adsorbed on a reference surface from the spectrum of the two-layer system under investigation, where the thickness of the overlayer is independently determined by X-ray photoelectron spectroscopy (XPS). This approach is applied to NEXAFS data acquired for one of the most challenging cases: air-exposed hard carbon-based materials with adventitious carbon contamination from ambient exposure. The contribution of the adventitious carbon was removed from the as-acquired spectra of ultrananocrystalline diamond (UNCD) and hydrogenated amorphous carbon (a-C:H) to determine the intrinsic photoabsorption NEXAFS spectra of these materials. The method alters the calculated fraction of sp(2)-hybridized carbon from 5 to 20% and reveals that the adventitious contamination can be described as a layer containing carbon and oxygen ([O]/[C] = 0.11 ± 0.02) with a thickness of 0.6 ± 0.2 nm and a fraction of sp(2)-bonded carbon of 0.19 ± 0.03. This

Calculation of the visible-UV absorption spectra of hydrogen sulfide, bisulfide, polysulfides, and As and Sb sulfides, in aqueous solution

PubMed Central

Tossell, JA

2003-01-01

Recently we showed that visible-UV spectra in aqueous solution can be accurately calculated for arsenic (III) bisulfides, such as As(SH)3, As(SH)2S- and their oligomers. The calculated lowest energy transitions for these species were diagnostic of their protonation and oligomerization state. We here extend these studies to As and Sb oxidation state III and v sulfides and to polysulfides Sn2-, n = 2–6, the bisulfide anion, SH-, hydrogen sulfide, H2S and the sulfanes, SnH2, n = 2–5. Many of these calculations are more difficult than those performed for the As(iii) bisulfides, since the As and Sb(v) species are more acidic and therefore exist as highly charged anions in neutral and basic solutions. In general, small and/or highly charged anions are more difficult to describe computationally than larger, monovalent anions or neutral molecules. We have used both Hartree-Fock based (CI Singles and Time-Dependent HF) and density functional based (TD B3LYP) techniques for the calculations of absorption energy and intensity and have used both explicit water molecules and a polarizable continuum to describe the effects of hydration. We correctly reproduce the general trends observed experimentally, with absorption energies increasing from polysulfides to As, Sb sulfides to SH- to H2S. As and Sb(v) species, both monomers and dimers, also absorb at characteristically higher energies than do the analogous As and Sb(III)species. There is also a small reduction in absorption energy from monomeric to dimeric species, for both As and Sb III and v. The polysufides, on the other hand, show no simple systematic changes in UV spectra with chain length, n, or with protonation state. Our results indicate that for the As and Sb sulfides, the oxidation state, degree of protonation and degree of oligomerization can all be determined from the visible-UV absorption spectrum. We have also calculated the aqueous phase energetics for the reaction of S8 with SH- to produce the polysulfides

Franck-Condon Simulations including Anharmonicity of the Ã(1)A''-X̃(1)A' Absorption and Single Vibronic Level Emission Spectra of HSiCl and DSiCl.

PubMed

Mok, Daniel W K; Lee, Edmond P F; Chau, Foo-Tim; Dyke, John M

2009-03-10

RCCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X̃(1)A' and Ã(1)A'' states of HSiCl employing basis sets of up to the aug-cc-pV5Z quality. Contributions from core correlation and extrapolation to the complete basis set limit were included in determining the computed equilibrium geometrical parameters and relative electronic energy of these two states of HSiCl. Franck-Condon factors which include allowance for anharmonicity and Duschinsky rotation between these two states of HSiCl and DSiCl were calculated employing RCCSD(T) and CASSCF/MRCI potential energy functions, and were used to simulate the Ã(1)A'' ← X̃(1)A' absorption and Ã(1)A'' → X̃(1)A' single vibronic level (SVL) emission spectra of HSiCl and DSiCl. Simulated absorption and experimental LIF spectra, and simulated and observed Ã(1)A''(0,0,0) → X̃(1)A' SVL emission spectra, of HSiCl and DSiCl are in very good agreement. However, agreement between simulated and observed Ã(1)A''(0,1,0) → X̃(1)A' and Ã(1)A''(0,2,1) → X̃(1)A' SVL emission spectra of DSiCl is not as good. Preliminary calculations on low-lying excited states of HSiCl suggest that vibronic interaction between low-lying vibrational levels of the Ã(1)A'' state and highly excited vibrational levels of the ã(3)A'' is possible. Such vibronic interaction may change the character of the low-lying vibrational levels of the Ã(1)A'' state, which would lead to perturbation in the SVL emission spectra from these vibrational levels.

Molecular hydrogen absorption systems in Sloan Digital Sky Survey

NASA Astrophysics Data System (ADS)

Balashev, S. A.; Klimenko, V. V.; Ivanchik, A. V.; Varshalovich, D. A.; Petitjean, P.; Noterdaeme, P.

2014-05-01

We present a systematic search for molecular hydrogen absorption systems at high redshift in quasar spectra from the Sloan Digital Sky Survey (SDSS)-II Data Release 7 and SDSS-III Data Release 9. We have selected candidates using a modified profile fitting technique taking into account that the Lyα forest can effectively mimic H2 absorption systems at the resolution of SDSS data. To estimate the confidence level of the detections, we use two methods: a Monte Carlo sampling and an analysis of control samples. The analysis of control samples allows us to define regions of the spectral quality parameter space where H2 absorption systems can be confidently identified. We find that H2 absorption systems with column densities log NH2 > 19 can be detected in only less than 3 per cent of SDSS quasar spectra. We estimate the upper limit on the detection rate of saturated H2 absorption systems (NH2 > 19) in damped Lyα (DLA) systems to be about 7 per cent. We provide a sample of 23 confident H2 absorption system candidates that would be interesting to follow up with high-resolution spectrographs. There is a 1σ r - i colour excess and non-significant AV extinction excess in quasar spectra with an H2 candidate compared to standard DLA-bearing quasar spectra. The equivalent widths of C II, Si II and Al III (but not Fe II) absorptions associated with H2 candidate DLAs are larger compared to standard DLAs. This is probably related to a larger spread in velocity of the absorption lines in the H2-bearing sample.

Molecular and electronic structure, magnetotropicity and absorption spectra of benzene-trinuclear copper(I) and silver(I) trihalide columnar binary stacks.

PubMed

Tsipis, A C; Stalikas, A V

2012-02-20

The molecular and electronic structures, stabilities, bonding features, magnetotropicity and absorption spectra of benzene-trinuclear Cu(I) and Ag(I) trihalide columnar binary stacks with the general formula [c-M(3)(μ(2)-X)(3)](n)(C(6)H(6))(m) (M = Cu, Ag; X = halide; n, m ≤ 2) have been investigated by means of electronic structure calculation methods. The interaction of c-M(3)(μ(2)-X)(3) clusters with one and two benzene molecules yields 1:1 and 1:2 binary stacks, while benzene sandwiched 2:1 stacks are formed upon interaction of two c-M(3)(μ(2)-X)(3) clusters with one benzene molecule. In all binary stacks the plane of the alternating c-M(3)(μ(2)-X)(3) and benzene components adopts an almost parallel orientation. The separation distance between the centroids of the benzene and the proximal c-M(3)(μ(2)-X)(3) metallic cluster found in the range 2.97-3.33 Å at the B97D/Def2-TZVP level is indicative of a π···π stacking interaction mode, for the centroid separation distance is very close to the sum of the van der Waals radii of Cu···C (3.10 Å) and Ag···C (3.44 Å). Energy decomposition analysis (EDA) at the SSB-D/TZP level revealed that the dominant term in the c-M(3)(μ(2)-X)(3)···C(6)H(6) interaction arises from dispersion and electrostatic forces while the covalent interactions are predicted to be negligible. On the other hand, charge decomposition analysis (CDA) illustrated very small charge transfer from C(6)H(6) toward the c-M(3)(μ(2)-X)(3) clusters, thus reflecting weak π-base/π-acid interactions which are further corroborated by the respective electrostatic potentials and the fact that the total dipole moment vector points to the center of the metallic ring of the c-M(3)(μ(2)-X)(3) cluster. The absorption spectra of all aromatic columnar binary stacks simulated by means of TD-DFT calculations showed strong absorptions in the UV region. The main features of the simulated absorption spectra are thoroughly analyzed, and assignments of

On the nature of solvatochromic effect: The riboflavin absorption spectrum as a case study

NASA Astrophysics Data System (ADS)

Daidone, Isabella; Amadei, Andrea; Aschi, Massimiliano; Zanetti-Polzi, Laura

2018-03-01

We present here the calculation of the absorption spectrum of riboflavin in acetonitrile and dimethyl sulfoxide using a hybrid quantum/classical approach, namely the perturbed matrix method, based on quantum mechanical calculations and molecular dynamics simulations. The calculated spectra are compared to the absorption spectrum of riboflavin previously calculated in water and to the experimental spectra obtained in all three solvents. The experimentally observed variations in the absorption spectra upon change of the solvent environment are well reproduced by the calculated spectra. In addition, the nature of the excited states of riboflavin interacting with different solvents is investigated, showing that environment effects determine a recombination of the gas-phase electronic states and that such a recombination is strongly affected by the polarity of the solvent inducing significant changes in the absorption spectra.

Fluorescence properties and white light generation from Dy3+-doped niobium phosphate glasses

NASA Astrophysics Data System (ADS)

Srihari, T.; Jayasankar, C. K.

2017-07-01

Niobium phosphate glasses (P2O5+Nb2O5+K2O + Al2O3+Dy2O3) doped with different concentrations of Dy3+ ions have been synthesized by melt quenching technique and characterized through structural and optical measurements to evaluate the fluorescence properties and find their suitability for white light emitting diodes (LEDs). Phonon energy and vibrational groups of the host matrix have been analyzed from Raman spectra. Judd-Ofelt analysis has been applied for 1.0 mol% Dy2O3-doped glass and inturn radiative properties have been evaluated for excited states of the Dy3+ ion. The higher value of stimulated emission cross-section (σe = 6.4 × 10-21 cm2) for the 4F9/2 → 6H13/2 level confirms its potentiality to be used as yellow laser. The decay curves exhibit non-exponential nature at higher concentrations (≥1 mol %) of Dy3+ ion. From the decay curve analysis, the quantum efficiency for the 4F9/2 level of 1.0 mol % Dy3+-doped glass is found to be 92%. The yellow to blue intensity ratios and chromaticity color co-ordinates are found to vary with Dy3+ ion concentrations/excitation wavelengths and are within the white light region.

Gamma radiation induced changes in nuclear waste glass containing Eu

NASA Astrophysics Data System (ADS)

Mohapatra, M.; Kadam, R. M.; Mishra, R. K.; Kaushik, C. P.; Tomar, B. S.; Godbole, S. V.

2011-10-01

Gamma radiation induced changes were investigated in sodium-barium borosilicate glasses containing Eu. The glass composition was similar to that of nuclear waste glasses used for vitrifying Trombay research reactor nuclear waste at Bhabha Atomic Research Centre, India. Photoluminescence (PL) and electron paramagnetic resonance (EPR) techniques were used to study the speciation of the rare earth (RE) ion in the matrix before and after gamma irradiation. Judd-Ofelt ( J- O) analyses of the emission spectra were done before and after irradiation. The spin counting technique was employed to quantify the number of defect centres formed in the glass at the highest gamma dose studied. PL data suggested the stabilisation of the trivalent RE ion in the borosilicate glass matrix both before and after irradiation. It was also observed that, the RE ion distributes itself in two different environments in the irradiated glass. From the EPR data it was observed that, boron oxygen hole centre based radicals are the predominant defect centres produced in the glass after irradiation along with small amount of E’ centres. From the spin counting studies the concentration of defect centres in the glass was calculated to be 350 ppm at 900 kGy. This indicated the fact that bulk of the glass remained unaffected after gamma irradiation up to 900 kGy.

Synthesis of Gd2O3:Eu nanoplatelets for MRI and fluorescence imaging

NASA Astrophysics Data System (ADS)

Maalej, Nabil M.; Qurashi, Ahsanulhaq; Assadi, Achraf Amir; Maalej, Ramzi; Shaikh, Mohammed Nasiruzzaman; Ilyas, Muhammad; Gondal, Mohammad A.

2015-05-01

We synthesized Gd2O3 and Gd2O3 doped by europium (Eu) (2% to 10%) nanoplatelets using the polyol chemical method. The synthesized nanoplatelets were characterized by X-ray diffraction (XRD), FESEM, TEM, and EDX techniques. The optical properties of the synthesized nanoplatelets were investigated by photoluminescence spectroscopy. We also studied the magnetic resonance imaging (MRI) contrast enhancement of T1 relaxivity using 3 T MRI. The XRD for Gd2O3 revealed a cubic crystalline structure. The XRD of Gd2O3:Eu3+ nanoplatelets were highly consistent with Gd2O3 indicating the total incorporation of the Eu3+ ions in the Gd2O3 matrix. The Eu doping of Gd2O3 produced red luminescence around 612 nm corresponding to the radiative transitions from the Eu-excited state 5D0 to the 7F2. The photoluminescence was maximal at 5% Eu doping concentration. The stimulated CIE chromaticity coordinates were also calculated. Judd-Ofelt analysis was used to obtain the radiative properties of the sample from the emission spectra. The MRI contrast enhancement due to Gd2O3 was compared to DOTAREM commercial contrast agent at similar concentration of gadolinium oxide and provided similar contrast enhancement. The incorporation of Eu, however, decreased the MRI contrast due to replacement of gadolinium by Eu.

Synthesis of Gd2O3:Eu nanoplatelets for MRI and fluorescence imaging.

PubMed

Maalej, Nabil M; Qurashi, Ahsanulhaq; Assadi, Achraf Amir; Maalej, Ramzi; Shaikh, Mohammed Nasiruzzaman; Ilyas, Muhammad; Gondal, Mohammad A

2015-01-01

We synthesized Gd2O3 and Gd2O3 doped by europium (Eu) (2% to 10%) nanoplatelets using the polyol chemical method. The synthesized nanoplatelets were characterized by X-ray diffraction (XRD), FESEM, TEM, and EDX techniques. The optical properties of the synthesized nanoplatelets were investigated by photoluminescence spectroscopy. We also studied the magnetic resonance imaging (MRI) contrast enhancement of T1 relaxivity using 3 T MRI. The XRD for Gd2O3 revealed a cubic crystalline structure. The XRD of Gd2O3:Eu(3+) nanoplatelets were highly consistent with Gd2O3 indicating the total incorporation of the Eu(3+) ions in the Gd2O3 matrix. The Eu doping of Gd2O3 produced red luminescence around 612 nm corresponding to the radiative transitions from the Eu-excited state (5)D0 to the (7)F2. The photoluminescence was maximal at 5% Eu doping concentration. The stimulated CIE chromaticity coordinates were also calculated. Judd-Ofelt analysis was used to obtain the radiative properties of the sample from the emission spectra. The MRI contrast enhancement due to Gd2O3 was compared to DOTAREM commercial contrast agent at similar concentration of gadolinium oxide and provided similar contrast enhancement. The incorporation of Eu, however, decreased the MRI contrast due to replacement of gadolinium by Eu.

Absorption spectra measurements of the x-ray radiation heated SiO2 aerogel plasma in 'dog-bone' targets irradiated by high power laser pulses

NASA Astrophysics Data System (ADS)

Zhang, Y.; Dong, Q.-L.; Wang, S.-J.; Li, Y.-T.; Zhang, J.; Wei, H.-G.; Shi, J.-R.; Zhao, G.; Zhang, J.-Y.; Wen, T.-S.; Zhang, W.-H.; Hu, X.; Liu, S.-Y.; Ding, Y.-K.; Zhang, L.; Tang, Y.-J.; Zhang, B.-H.; Zheng, Z.-J.; Nishimura, H.; Fujioka, S.; Takabe, H.

2008-05-01

We studied the opacity effect of the SiO2 aerogel plasma heated by x-ray radiation produced by high power laser pulses irradiating the inner surface of golden 'dog-bone' targets. The PET crystal spectrometer was used to measure the absorption spectra of the plasmas in the range from 6.4 Å to 7.4 Å, among which the line emissions involving the K shell of Si ions from He-like to neutral atom were located. The experimental results were analyzed with Detailed-Level-Accounting method. As the plasma temperature increased, the characteristic lines of highly ionized ions gradually dominated the absorption spectrum.

Effect of concentration variation on 2.0 µm emission of Ho3+-doped SiO2-Al2O3-Na2CO3-SrF2-CaF2 oxyfluorosilicate glasses

NASA Astrophysics Data System (ADS)

Gelija, Devarajulu; Borelli, Deva Prasad Raju

2018-02-01

The concentration variation of Ho3+ ion-doped SiO2-Al2O3-Na2CO3-SrF2-CaF2 glasses has been prepared by conventional melt quenching method. The thermal stability of 1 mol % of Ho3+-doped oxyfluorosilicate glass has been calculated using the differential thermal analysis (DTA) spectra. The phenomenological Judd-Ofelt intensity parameters Ωλ ( λ = 2, 4 and 6) were calculated for all concentrations of Ho3+ ions. The luminescence spectra in visible region of Ho3+ ion-doped glasses were recorded under the excitation wavelength of 452 nm. The spectra consists of several intense emission bands (5F4, 5S2) → 5I8 (547 nm), 5F3 → 5I8 (647 nm), 5F5 → 5I7 (660 nm) and (5F4, 5S2) → 5I7 (750 nm) in the range 500-780 nm. The fluorescence emission at ˜2.0 µm (5I7 → 5I8) was observed under the excitation of 488 nm Ar-ion laser. The stimulated emission cross section for 5I7 → 5I8 transition (˜2.0 µm) varies from 8.46 to 9.52 × 10-21 cm2, as calculated by the Fuchtbauer-Ladenburg (FL) theory. However, Mc-Cumber theory was used to calculate emission cross section values about 4.24-5.75 × 10-21 cm2 for the 5I7 → 5I8 transition in all concentrations of Ho3+-doped oxyfluorosilicate glasses. Therefore, these results reveal that the 0.5 mol % of Ho3+-doped oxyfluorosilicate glasses, exhibiting higher emission cross section, has potentially been used for laser applications at ˜ 2.0 µm.

Near-infrared spectra of the Martian surface: Reading between the lines

NASA Technical Reports Server (NTRS)

Crisp, D.; Bell, J. F., III

1993-01-01

Moderate-resolution near-infrared (NIR) spectra of Mars have been widely used in studies of the Martian surface because many candidate surface materials have distinctive absorption features at these wavelengths. Recent advances in NIR detector technology and instrumentation have also encouraged studies in this spectral region. The use of moderate spectral resolution has often been justified for NIR surface observations because the spectral features produced by most surface materials are relatively broad, and easily discriminated at this resolution. In spite of this, NIR spectra of Mars are usually very difficult to interpret quantitatively. One problem is that NIR surface absorption features are often only a few percent deep, requiring observations with great signal-to-noise ratios. A more significant problem is that gases in the Martian atmosphere contribute numerous absorption features at these wavelengths. Ground-based observers must also contend with variable absorption by several gases in the Earth's atmosphere (H2O, CO2, O3, N2O, CH4, O2). The strong CO2 bands near 1.4, 1.6, 2.0, 2.7, 4.3, and 4.8 micrometers largely preclude the analysis of surface spectral features at these wavelengths. Martian atmospheric water vapor also contributes significant absorption near 1.33, 1.88, and 2.7 micrometers, but water vapor in the Earth's atmosphere poses a much larger problem to ground-based studies of these spectral regions. The third most important NIR absorber in the Martian atmosphere is CO. This gas absorbs most strongly in the relatively-transparent spectral windows near 4.6 and 2.3 micrometers. It also produces 1-10 percent absorption in the solar spectrum at these NIR wavelengths. This solar CO absorption cannot be adequately removed by dividing the Martian spectrum by that of a star, as is commonly done to calibrate ground-based spectroscopic observations, because most stars do not have identical amounts of CO absorption in their spectra. Here, we describe tow

Titan solar occultation observations reveal transit spectra of a hazy world.

PubMed

Robinson, Tyler D; Maltagliati, Luca; Marley, Mark S; Fortney, Jonathan J

2014-06-24

High-altitude clouds and hazes are integral to understanding exoplanet observations, and are proposed to explain observed featureless transit spectra. However, it is difficult to make inferences from these data because of the need to disentangle effects of gas absorption from haze extinction. Here, we turn to the quintessential hazy world, Titan, to clarify how high-altitude hazes influence transit spectra. We use solar occultation observations of Titan's atmosphere from the Visual and Infrared Mapping Spectrometer aboard National Aeronautics and Space Administration's (NASA) Cassini spacecraft to generate transit spectra. Data span 0.88-5 μm at a resolution of 12-18 nm, with uncertainties typically smaller than 1%. Our approach exploits symmetry between occultations and transits, producing transit radius spectra that inherently include the effects of haze multiple scattering, refraction, and gas absorption. We use a simple model of haze extinction to explore how Titan's haze affects its transit spectrum. Our spectra show strong methane-absorption features, and weaker features due to other gases. Most importantly, the data demonstrate that high-altitude hazes can severely limit the atmospheric depths probed by transit spectra, bounding observations to pressures smaller than 0.1-10 mbar, depending on wavelength. Unlike the usual assumption made when modeling and interpreting transit observations of potentially hazy worlds, the slope set by haze in our spectra is not flat, and creates a variation in transit height whose magnitude is comparable to those from the strongest gaseous-absorption features. These findings have important consequences for interpreting future exoplanet observations, including those from NASA's James Webb Space Telescope.

Terahertz Absorption by Cellulose: Application to Ancient Paper Artifacts

NASA Astrophysics Data System (ADS)

Peccianti, M.; Fastampa, R.; Mosca Conte, A.; Pulci, O.; Violante, C.; Łojewska, J.; Clerici, M.; Morandotti, R.; Missori, M.

2017-06-01

Artifacts made of cellulose, such as ancient documents, pose a significant experimental challenge in the terahertz transmission spectra interpretation due to their small optical thickness. In this paper, we describe a method to recover the complex refractive index of cellulose fibers from the terahertz transmission data obtained on single freely standing paper sheets in the (0.2-3.5)-THz range. By using our technique, we eliminate Fabry-Perot effects and recover the absorption coefficient of the cellulose fibers. The obtained terahertz absorption spectra are explained in terms of absorption peaks of the cellulose crystalline phase superimposed to a background contribution due to a disordered hydrogen-bond network. The comparison between the experimental spectra with terahertz vibrational properties simulated by density-functional-theory calculations confirms this interpretation. In addition, evident changes in the terahertz absorption spectra are produced by natural and artificial aging on paper samples, whose final stage is characterized by a spectral profile with only two peaks at about 2.1 and 3.1 THz. These results can be used to provide a quantitative assessment of the state of preservation of cellulose artifacts.

Microscopic Theory and Simulation of Quantum-Well Intersubband Absorption

NASA Technical Reports Server (NTRS)

Li, Jianzhong; Ning, C. Z.

2004-01-01

We study the linear intersubband absorption spectra of a 15 nm InAs quantum well using the intersubband semiconductor Bloch equations with a three-subband model and a constant dephasing rate. We demonstrate the evolution of intersubband absorption spectral line shape as a function of temperature and electron density. Through a detailed examination of various contributions, such as the phase space filling effects, the Coulomb many-body effects and the non-parabolicity effect, we illuminate the underlying physics that shapes the spectra. Keywords: Intersubband transition, linear absorption, semiconductor heterostructure, InAs quantum well

40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

Code of Federal Regulations, 2013 CFR

2013-07-01

... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

Code of Federal Regulations, 2012 CFR

2012-07-01

... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

Code of Federal Regulations, 2014 CFR

2014-07-01

... by both molar absorption coefficient (molar extinction coefficient) and band width. However, the..., expressed in cm; and the molar absorption (extinction) coefficient,εi, of each species. The absorbance...

Ultraviolet spectra of quenched carbonaceous composite derivatives: Comparison to the '217 nanometer' interstellar absorption feature

NASA Technical Reports Server (NTRS)

Sakata, Akira; Wada, Setsuko; Tokunaga, Alan T.; Narisawa, Takatoshi; Nakagawa, Hidehiro; Ono, Hiroshi

1994-01-01

QCCs (quenched carbonaceous composite) are amorphus carbonaceous material formed from a hydrocarbon plasma. We present the UV-visible spectra of 'filmy QCC; (obtained outside of the beam ejected from the hydrocarbon plasma) and 'dark QCC' (obtained very near to the beam) for comparison to the stellar extinction curve. When filmy QCC is heated to 500-700 C (thermally altered), the wavelength of the absorption maximum increases form 204 nm to 220-222 nm. The dark QCC has an absorption maximum at 217-222 nm. In addition, the thermally altered filmy QCC has a slope change at about 500 nm which resmbles that in the interstellar extinction curve. The resemblance of the extinction curve of the QCCs to that of the interstellar medium suggests that QCC derivatives may be representative of the type of interstellar material that produces the 217 nm interstellar medium feature. The peak extinction of the dark QCC is higher than the average interstellar extinction curve while that of the thermally altered filmy QCC is lower, so that a mixture of dark and thermally altered filmy QCC can match the peak extinction observed in the interstellar medium. It is shown from electron micrographs that most of the thermally altered flimy QCC is in the form of small grainy structure less than 4 nm in diameter. This shows that the structure unit causing the 217-222 nm feature in QCC is very small.

Electromagnetic-radiation absorption by water.

PubMed

Lunkenheimer, P; Emmert, S; Gulich, R; Köhler, M; Wolf, M; Schwab, M; Loidl, A

2017-12-01

Why does a microwave oven work? How does biological tissue absorb electromagnetic radiation? Astonishingly, we do not have a definite answer to these simple questions because the microscopic processes governing the absorption of electromagnetic waves by water are largely unclarified. This absorption can be quantified by dielectric loss spectra, which reveal a huge peak at a frequency of the exciting electric field of about 20 GHz and a gradual tailing off toward higher frequencies. The microscopic interpretation of such spectra is highly controversial and various superpositions of relaxation and resonance processes ascribed to single-molecule or molecule-cluster motions have been proposed for their analysis. By combining dielectric, microwave, THz, and far-infrared spectroscopy, here we provide nearly continuous temperature-dependent broadband spectra of water. Moreover, we find that corresponding spectra for aqueous solutions reveal the same features as pure water. However, in contrast to the latter, crystallization in these solutions can be avoided by supercooling. As different spectral contributions tend to disentangle at low temperatures, this enables us to deconvolute them when approaching the glass transition under cooling. We find that the overall spectral development, including the 20 GHz feature (employed for microwave heating), closely resembles the behavior known for common supercooled liquids. Thus water's absorption of electromagnetic waves at room temperature is not unusual but very similar to that of glass-forming liquids at elevated temperatures, deep in the low-viscosity liquid regime, and should be interpreted along similar lines.

Electromagnetic-radiation absorption by water

NASA Astrophysics Data System (ADS)

Lunkenheimer, P.; Emmert, S.; Gulich, R.; Köhler, M.; Wolf, M.; Schwab, M.; Loidl, A.

2017-12-01

Why does a microwave oven work? How does biological tissue absorb electromagnetic radiation? Astonishingly, we do not have a definite answer to these simple questions because the microscopic processes governing the absorption of electromagnetic waves by water are largely unclarified. This absorption can be quantified by dielectric loss spectra, which reveal a huge peak at a frequency of the exciting electric field of about 20 GHz and a gradual tailing off toward higher frequencies. The microscopic interpretation of such spectra is highly controversial and various superpositions of relaxation and resonance processes ascribed to single-molecule or molecule-cluster motions have been proposed for their analysis. By combining dielectric, microwave, THz, and far-infrared spectroscopy, here we provide nearly continuous temperature-dependent broadband spectra of water. Moreover, we find that corresponding spectra for aqueous solutions reveal the same features as pure water. However, in contrast to the latter, crystallization in these solutions can be avoided by supercooling. As different spectral contributions tend to disentangle at low temperatures, this enables us to deconvolute them when approaching the glass transition under cooling. We find that the overall spectral development, including the 20 GHz feature (employed for microwave heating), closely resembles the behavior known for common supercooled liquids. Thus water's absorption of electromagnetic waves at room temperature is not unusual but very similar to that of glass-forming liquids at elevated temperatures, deep in the low-viscosity liquid regime, and should be interpreted along similar lines.

Electronic Absorption Spectra of Mass-Selected Hydrocarbon Cations in Solid Neon: C_nH_4+ (n=5-8,10,12)

NASA Astrophysics Data System (ADS)

Nagy, A.; Fulara, J.; Garkusha, I.; Maier, J. P.

2011-05-01

Small, unsaturated hydrocarbons, C_nH_m (n,m≤6), play an important role in astrochemical models as they have been detected in various space objects such as the interstellar medium or envelopes of carbon-rich stars. Although identification of most of these species was based on rotational studies, they are candidate carriers of the infamous diffuse interstellar bands. It has been proposed that corresponding cationic species formed upon UV radiation may also be of astrophysical relevance; therefore, their optical spectra need to be determined. In this contribution, electronic absorption spectra of mass-selected C_nH_4+ (n=5-8,10,12) ions trapped in neon matrices are presented. The cations were produced in a hot-cathode discharge source, guided through a series of electrostatic lenses, mass filtered and co-deposited with excess of neon onto a rhodium-coated sapphire plate held at 6 K. In the same experiments, neutral species were generated from the cations by a photobleaching procedure.

Quasar Absorption Studies

NASA Technical Reports Server (NTRS)

Mushotzky, Richard (Technical Monitor); Elvis, Martin

2004-01-01

The aim of the proposal is to investigate the absorption properties of a sample of inter-mediate redshift quasars. The main goals of the project are: Measure the redshift and the column density of the X-ray absorbers; test the correlation between absorption and redshift suggested by ROSAT and ASCA data; constrain the absorber ionization status and metallicity; constrain the absorber dust content and composition through the comparison between the amount of X-ray absorption and optical dust extinction. Unanticipated low energy cut-offs where discovered in ROSAT spectra of quasars and confirmed by ASCA, BeppoSAX and Chandra. In most cases it was not possible to constrain adequately the redshift of the absorber from the X-ray data alone. Two possibilities remain open: a) absorption at the quasar redshift; and b) intervening absorption. The evidences in favour of intrinsic absorption are all indirect. Sensitive XMM observations can discriminate between these different scenarios. If the absorption is at the quasar redshift we can study whether the quasar environment evolves with the Cosmic time.

THz spectra of cortisone and the related medicine

NASA Astrophysics Data System (ADS)

Ma, Shihua; Ge, Min; Liu, Guifeng; Song, Xiyu; Zhang, Peng; Wang, Wenfeng

2009-07-01

THz-TDS are used to study four kinds of drug: cortisone, hydrocortisone, prednisone and prednisolone. The THz spectra of them are obtained and analyzed from 0.2 - 1.6 THz. The experimental results shows the four samples have the different THz spectra. Cortisone has a peak at 1.5 THz and a broad absorption peak at 0.96 THz, while hydrocortisone has a weak absorption peak that lies at 1.27 THz. At the same time the prednisone has the stronger absorption peaks than the others, and its two peaks shows at 1.24 THz and 1.5 THz. Prednisolone has a weak broad peak at 1.43 THz. The results of the theoretical calculation were performed using Gaussian 03 software with Density Functional Theory at the basis set of 6-31+G (d, p). The theoretical vibrational frequencies are compared with the experimental results, and the deviations are discussed. The THz spectra of the medicine show THz technique may be help to distinguish some different chemical bond and functional group.

Measurement of two-photon-absorption spectra through nonlinear fluorescence produced by a line-shaped excitation beam.

PubMed

Hasani, E; Parravicini, J; Tartara, L; Tomaselli, A; Tomassini, D

2018-05-01

We propose an innovative experimental approach to estimate the two-photon absorption (TPA) spectrum of a fluorescent material. Our method develops the standard indirect fluorescence-based method for the TPA measurement by employing a line-shaped excitation beam, generating a line-shaped fluorescence emission. Such a configuration, which requires a relatively high amount of optical power, permits to have a greatly increased fluorescence signal, thus avoiding the photon counterdetection devices usually used in these measurements, and allowing to employ detectors such as charge-coupled device (CCD) cameras. The method is finally tested on a fluorescent isothiocyanate sample, whose TPA spectrum, which is measured with the proposed technique, is compared with the TPA spectra reported in the literature, confirming the validity of our experimental approach. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

OH absorption spectroscopy in a flame using spatial heterodyne spectroscopy

NASA Astrophysics Data System (ADS)

Bartula, Renata J.; Ghandhi, Jaal B.; Sanders, Scott T.; Mierkiewicz, Edwin J.; Roesler, Fred L.; Harlander, John M.

2007-12-01

We demonstrate measurements of OH absorption spectra in the post-flame zone of a McKenna burner using spatial heterodyne spectroscopy (SHS). SHS permits high-resolution, high-throughput measurements. In this case the spectra span ~308-310 nm with a resolution of 0.03 nm, even though an extended source (extent of ~2×10-7 m2 rad2) was used. The high spectral resolution is important for interpreting spectra when multiple absorbers are present for inferring accurate gas temperatures from measured spectra and for monitoring weak absorbers. The present measurement paves the way for absorption spectroscopy by SHS in practical combustion devices, such as reciprocating and gas-turbine engines.

Titan solar occultation observations reveal transit spectra of a hazy world

PubMed Central

Robinson, Tyler D.; Maltagliati, Luca; Marley, Mark S.; Fortney, Jonathan J.

2014-01-01

High-altitude clouds and hazes are integral to understanding exoplanet observations, and are proposed to explain observed featureless transit spectra. However, it is difficult to make inferences from these data because of the need to disentangle effects of gas absorption from haze extinction. Here, we turn to the quintessential hazy world, Titan, to clarify how high-altitude hazes influence transit spectra. We use solar occultation observations of Titan’s atmosphere from the Visual and Infrared Mapping Spectrometer aboard National Aeronautics and Space Administration’s (NASA) Cassini spacecraft to generate transit spectra. Data span 0.88–5 μm at a resolution of 12–18 nm, with uncertainties typically smaller than 1%. Our approach exploits symmetry between occultations and transits, producing transit radius spectra that inherently include the effects of haze multiple scattering, refraction, and gas absorption. We use a simple model of haze extinction to explore how Titan’s haze affects its transit spectrum. Our spectra show strong methane-absorption features, and weaker features due to other gases. Most importantly, the data demonstrate that high-altitude hazes can severely limit the atmospheric depths probed by transit spectra, bounding observations to pressures smaller than 0.1–10 mbar, depending on wavelength. Unlike the usual assumption made when modeling and interpreting transit observations of potentially hazy worlds, the slope set by haze in our spectra is not flat, and creates a variation in transit height whose magnitude is comparable to those from the strongest gaseous-absorption features. These findings have important consequences for interpreting future exoplanet observations, including those from NASA’s James Webb Space Telescope. PMID:24876272

Spectroscopic identification of individual fluorophores using photoluminescence excitation spectra.

PubMed

Czerski, J; Colomb, W; Cannataro, F; Sarkar, S K

2018-01-25

The identity of a fluorophore can be ambiguous if other fluorophores or nonspecific fluorescent impurities have overlapping emission spectra. The presence of overlapping spectra makes it difficult to differentiate fluorescent species using discrete detection channels and unmixing of spectra. The unique absorption and emission signatures of fluorophores provide an opportunity for spectroscopic identification. However, absorption spectroscopy may be affected by scattering, whereas fluorescence emission spectroscopy suffers from signal loss by gratings or other dispersive optics. Photoluminescence excitation spectra, where excitation is varied and emission is detected at a fixed wavelength, allows hyperspectral imaging with a single emission filter for high signal-to-background ratio without any moving optics on the emission side. We report a high throughput method for measuring the photoluminescence excitation spectra of individual fluorophores using a tunable supercontinuum laser and prism-type total internal reflection fluorescence microscope. We used the system to measure and sort the photoluminescence excitation spectra of individual Alexa dyes, fluorescent nanodiamonds (FNDs), and fluorescent polystyrene beads. We used a Gaussian mixture model with maximum likelihood estimation to objectively separate the spectra. Finally, we spectroscopically identified different species of fluorescent nanodiamonds with overlapping spectra and characterized the heterogeneity of fluorescent nanodiamonds of varying size. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

Soft X-Ray Absorption Spectroscopy of High-Abrasion-Furnace Carbon Black

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muramatsu, Yasuji; Harada, Ryusuke; Gullikson, Eric M.

2007-02-02

The soft x-ray absorption spectra of high-abrasion-furnace carbon black were measured to obtain local-structure/chemical-states information of the primary particles and/or crystallites. The soft x-ray absorption spectral features of carbon black represent broader {pi}* and {sigma}* peak structures compared to highly oriented pyrolytic graphite (HOPG). The subtracted spectra between the carbon black and HOPG, (carbon black) - (HOPG), show double-peak structures on both sides of the {pi}* peak. The lower-energy peak, denoted as the 'pre-peak', in the subtracted spectra and the {pi}*/{sigma}* peak intensity ratio in the absorption spectra clearly depend on the specific surface area by nitrogen adsorption (NSA). Therefore,more » it is concluded that the pre-peak intensity and the {pi}*/{sigma}* ratio reflect the local graphitic structure of carbon black.« less

Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine

PubMed Central

2017-01-01

The solvatochromic effects of six different solvents on the UV absorption spectrum of 2-thiocytosine have been studied by a combination of experimental and theoretical techniques. The steady-state absorption spectra show significant shifts of the absorption bands, where in more polar solvents the first absorption maximum shifts to higher transition energies and the second maximum to lower energies. The observed solvatochromic shifts have been rationalized using three popular solvatochromic scales and with high-level multireference quantum chemistry calculations including implicit and explicit solvent effects. It has been found that the dipole moments of the excited states account for some general shifts in the excitation energies, whereas the explicit solvent interactions explain the differences in the spectra recorded in the different solvents. PMID:28452483

Luminescence properties and molecular mechanics calculation of bis-β-diketonate Eu3+ complex/polymer hybrid fibers

NASA Astrophysics Data System (ADS)

Bai, Jinyuan; Gu, Huiquan; Hou, Yanjun; Wang, Shuhong

2018-05-01

Two series of bis-β-diketonate Eu3+ complex/polymer hybrid fibers, namely, Eu2(BTP)3(H2O)4/PMMA (Eu/PMMA) and Eu2(BTP)3(H2O)4/PVP (Eu/PVP) have been prepared by electrospinning technology (BTP = 1,3-bis(4,4,4-trifluoro-1,3-dioxobutyl)phenyl, PVP = poly (vinyl pyrrolidone) and PMMA = poly (methyl methacrylate)). The effect of complex Eu2(BTP)3(H2O)4 on the luminescence, thermal stability and morphology of composite fibers were studied by characterization techniques. The Judd-Ofelt theory was applied to this study for explaining the effect of the distribution of Eu2(BTP)3(H2O)4 and the mutual effect of the Eu2(BTP)3(H2O)4 coordination compound and neighboring chain segments of PMMA and PVP polymer matrix.

Photofunctional Eu3+/Tb3+ hybrids through sulfoxide linkages: coordination bonds construction, characterization and luminescence.

PubMed

Guo, Lei; Yan, Bing; Liu, Jin-Liang

2011-05-14

New kinds of organic-inorganic hybrid materials consisting of rare earth (Eu(3+), Tb(3+)) complexes covalently bonded to a silica-based network have been obtained by a sol-gel approach. Three novel versatile molecular building blocks containing sulfoxide organic units have been synthesized by methylene modification reaction, which are used as the ligands of rare earth ions and also as siloxane network precursors. The obtained hybrids are characterized by chemical analysis and spectroscopic methods such as FTIR and UV; XRD and SEM. Photoluminescence measurements on the prepared hybrids were performed showing the intra-4f(n) emission in the visible (Eu(3+), Tb(3+)) region and in all the cases being sensitized by the sulfoxide ligands. The emission quantum efficiency and the Judd-Ofelt intensity parameters of Eu(3+) hybrid materials were also investigated in detail.

Synthesis and near-infrared fluorescence of K5NdLi2F10 nanocrystals and their dispersion with high doping concentration and long lifetime.

PubMed

Duan, Weikuan; Zhang, Yanyan; Wang, Zhongyue; Jiang, Jingyi; Liang, Chen; Wei, Wei

2014-06-07

K5NdLi2F10 nanocrystals were synthesized by a novel synthetic route in the liquid phase, which could improve the morphology and reduce the size effectively, for the first time. The luminescence intensities of the K5NdLi2F10 nanocrystals and their dispersion in polyethylene glycol 400 (PEG-400) approximate to that of neodymium doped phosphate glass (3 mol%), while the lifetimes of the nanocrystals alone and when dispersed with Nd(3+) ions (1 × 10(20) cm(-3)) are 303.4 μs and 174.6 μs respectively. Based on the Judd-Ofelt analysis, the emission quantum yield of the dispersion reaches 39.57%. In all, the K5NdLi2F10 nanocrystals and their dispersion have promising applications as liquid laser materials and biological fluorescent markers.

Sound absorption by clamped poroelastic plates.

PubMed

Aygun, H; Attenborough, K

2008-09-01

Measurements and predictions have been made of the absorption coefficient and the surface acoustic impedance of poroelastic plates clamped in a large impedance tube and separated from the rigid termination by an air gap. The measured and predicted absorption coefficient and surface impedance spectra exhibit low frequency peaks. The peak frequencies observed in the absorption coefficient are close to those predicted and measured in the deflection spectra of the clamped poroelastic plates. The influences of the rigidity of the clamping conditions and the width of the air gap have been investigated. Both influences are found to be important. Increasing the rigidity of clamping reduces the low frequency absorption peaks compared with those measured for simply supported plates or plates in an intermediate clamping condition. Results for a closed cell foam plate and for two open cell foam plates made from recycled materials are presented. For identical clamping conditions and width of air gap, the results for the different materials differ as a consequence mainly of their different elasticity, thickness, and cell structure.

Comparison of experimental and calculated chiroptical spectra for chiral molecular structure determination.

PubMed

Polavarapu, Prasad L; Covington, Cody L

2014-09-01

For three different chiroptical spectroscopic methods, namely, vibrational circular dichroism (VCD), electronic circular dichroism (ECD), and Raman optical activity (ROA), the measures of similarity of the experimental spectra to the corresponding spectra predicted using quantum chemical theories are summarized. In determining the absolute configuration and/or predominant conformations of chiral molecules, these similarity measures provide numerical estimates of agreement between experimental observations and theoretical predictions. Selected applications illustrating the similarity measures for absorption, circular dichroism, and corresponding dissymmetry factor (DF) spectra, in the case of VCD and ECD, and for Raman, ROA, and circular intensity differential (CID) spectra in the case of ROA, are presented. The analysis of similarity in DF or CID spectra is considered to be much more discerning and accurate than that in absorption (or Raman) and circular dichroism (or ROA) spectra, undertaken individually. © 2014 Wiley Periodicals, Inc.

Computer-Graphics Emulation of Chemical Instrumentation: Absorption Spectrophotometers.

ERIC Educational Resources Information Center

Gilbert, D. D.; And Others

1982-01-01

Describes interactive, computer-graphics program emulating behavior of high resolution, ultraviolet-visible analog recording spectrophotometer. Graphics terminal behaves as recording absorption spectrophotometer. Objective of the emulation is study of optimization of the instrument to yield accurate absorption spectra, including…

NARROW LINE ABSORPTION IN CACO3.

DTIC Science & Technology

CARBONATES), (*CALCIUM COMPOUNDS, (*ABSORPTION SPECTRA, CALCITE), (*CALCITE, RADIATION EFFECTS), ELECTRON PARAMAGNETIC RESONANCE, SINGLE CRYSTALS , NEUTRONS, X RAYS, GAMMA RAYS, IONS, CRYSTAL DEFECTS, PARAMAGNETIC RESONANCE.

X-ray absorption of a warm dense aluminum plasma created by an ultra-short laser pulse

NASA Astrophysics Data System (ADS)

Lecherbourg, L.; Renaudin, P.; Bastiani-Ceccotti, S.; Geindre, J.-P.; Blancard, C.; Cossé, P.; Faussurier, G.; Shepherd, R.; Audebert, P.

2007-05-01

Point-projection K-shell absorption spectroscopy has been used to measure absorption spectra of transient aluminum plasma created by an ultra-short laser pulse. The 1s-2p and 1s-3p absorption lines of weakly ionized aluminum were measured for an extended range of densities in a low-temperature regime. Independent plasma characterization was obtained using frequency domain interferometry diagnostic (FDI) that allows the interpretation of the absorption spectra in terms of spectral opacities. A detailed opacity code using the density and temperature inferred from the FDI reproduce the measured absorption spectra except in the last stage of the recombination phase.

On the inclusion of the hydrogen dimer in the analysis of Voyager IRIS spectra

NASA Technical Reports Server (NTRS)

Carlson, Barbara E.; Ma, Qiancheng; Lacis, Andrew

1992-01-01

Empirical formulas are fitted to existing theoretical absorption spectra of H2-H2 pairs in the far-infrared allowing the inclusion of dimer absorption, parameterized with the height dependence of the para-hydrogen profile, in the calculations. Comparison between synthetic and Voyager IRIS spectra shows that once the dimer absorption is included it is now possible to reproduce the hydrogen portion of the IRIS spectrum to within the precision of the measurements.