High Resolution Infrared Spectroscopy of Molecules of Terrestrial and Planetary Interest

NASA Technical Reports Server (NTRS)

Freedman, Richard S.

2001-01-01

In collaboration with the laboratory spectroscopy group of the Ames Atmospheric Physics Research Branch (SGP), high resolution infrared spectra of molecules that are of importance for the dynamics of the earth's and other planets' atmospheres were acquired using the SGP high resolution Fourier transform spectrometer and gas handling apparatus. That data, along with data acquired using similar instrumentation at the Kitt Peak National Observatory was analyzed to determine the spectral parameters for each of the rotationally resolved transitions for each molecule. Those parameters were incorporated into existing international databases (e.g. HITRANS and GEISA) so that field measurements could be converted into quantitative information regarding the physical and chemical structures of earth and planetary atmospheres.

VizieR Online Data Catalog: Low-resolution near-infrared stellar spectra from CIBER (Kim+, 2017)

NASA Astrophysics Data System (ADS)

Kim, M. G.; Lee, H. M.; Arai, T.; Bock, J.; Cooray, A.; Jeong, W.-S.; Kim, S. J.; Korngut, P.; Lanz, A.; Lee, D. H.; Lee, M. G.; Matsumoto, T.; Matsuura, S.; Nam, U. W.; Onishi, Y.; Shirahata, M.; Smidt, J.; Tsumura, K.; Yamamura, I.; Zemcov, M.

2017-06-01

We present flux-calibrated near-infrared spectra of 105 stars from 0.8{<=}λ{<=}1.8μm with spectral resolution 15{<=}λ/Δλ{<=}30 over the range. The Low-Resolution Spectrometer (LRS) is one of the four optical instruments of the Cosmic Infrared Background Experiment (CIBER) payload; the others are a narrowband spectrometer and two wide-field imagers. The LRS is a prism-dispersed spectrometer with five rectangular 5.35°*2.8' slits imaging a 5.8°*5.8° field of view. The detector has 256*256 pixels at a pixel scale of 1.36'*1.36'. CIBER has flown four times (2009 February, 2010 July, 2012 March, and 2013 June) with apogees and total exposure times of over 325km and ~240s, respectively, in the first three flights and of 550km and 335s in the final, non-recovered flight. Due to spurious signal contamination from thermal emission from the shock-heated rocket skin, we do not use the first flight data in this work. The star spectral types are determined by fitting known spectral templates to the measured LRS spectra. We use the Infrared Telescope Facility (IRTF) and Pickles 1998 (Cat. J/PASP/110/863) templates for the SED fitting. The SpeX instrument installed on the IRTF observed stars using a medium-resolution spectrograph (R=2000). The template library contains spectra for 210 cool stars (F to M type) with wavelength coverage from 0.8 to 2.5μm (Cushing 2005ApJ...623.1115C; Rayner 2009ApJS..185..289R). The Pickles library is a synthetic spectral library that combines spectral data from various observations to achieve wavelength coverage from the UV (0.115μm) to the near-infrared (2.5μm). It contains 131 spectral templates for all star types (i.e., O to M type) with a uniform sampling interval of 5Å. (6 data files).

Investigating the Near-Infrared Properties of Planetary Nebulae II. Medium Resolution Spectra. 2; Medium Resolution Spectra

NASA Technical Reports Server (NTRS)

Hora, Joseph L.; Latter, William B.; Deutsch, Lynne K.

1998-01-01

We present medium-resolution (R approximately 700) near-infrared (lambda = 1 - 2.5 micrometers) spectra of a sample of planetary nebulae (PNe). A narrow slit was used which sampled discrete locations within the nebulae; observations were obtained at one or more positions in the 41 objects included in the survey. The PN spectra fall into one of four general categories: H1 emission line-dominated PNe, H1 and H2 emission line PNe, H2 emission line-dominated PNe, and continuum-dominated PNe. These categories correlate with morphological type, with the elliptical PNe falling into the first group, and the bipolar PNe primarily in the H2 and continuum emission groups. The categories also correlate with C/O ratio, with the O-rich objects falling into the first group and the C-rich objects in the groups. Other spectral features were observed in all catagories, such as continuum emission from the central star, and warm dust continuum emission towards the long wavelength end of the spectra. H2 was detected in four PNe in this survey for the first time. An analysis was performed using the H2 line ratios in all of the PN spectra in the survey where a sufficient number of lines were observed to determine the ortho-to-para ratio and the rotational and vibrational excitation temperatures of the H-2 in those objects. One unexpected result from this analysis is that the H-2 is excited by absorption of ultraviolet photons in most of the PNe, although there are several PNe in which collisional excitation plays an important role. The correlation between bipolar morphology and H2 emission has been strengthened with the new detections of H2 in this survey.

CRIRES-POP: a library of high resolution spectra in the near-infrared. II. Data reduction and the spectrum of the K giant 10 Leonis

NASA Astrophysics Data System (ADS)

Nicholls, C. P.; Lebzelter, T.; Smette, A.; Wolff, B.; Hartman, H.; Käufl, H.-U.; Przybilla, N.; Ramsay, S.; Uttenthaler, S.; Wahlgren, G. M.; Bagnulo, S.; Hussain, G. A. J.; Nieva, M.-F.; Seemann, U.; Seifahrt, A.

2017-02-01

Context. High resolution stellar spectral atlases are valuable resources to astronomy. They are rare in the 1-5 μm region for historical reasons, but once available, high resolution atlases in this part of the spectrum will aid the study of a wide range of astrophysical phenomena. Aims: The aim of the CRIRES-POP project is to produce a high resolution near-infrared spectral library of stars across the H-R diagram. The aim of this paper is to present the fully reduced spectrum of the K giant 10 Leo that will form the basis of the first atlas within the CRIRES-POP library, to provide a full description of the data reduction processes involved, and to provide an update on the CRIRES-POP project. Methods: All CRIRES-POP targets were observed with almost 200 different observational settings of CRIRES on the ESO Very Large Telescope, resulting in a basically complete coverage of its spectral range as accessible from the ground. We reduced the spectra of 10 Leo with the CRIRES pipeline, corrected the wavelength solution and removed telluric absorption with Molecfit, then resampled the spectra to a common wavelength scale, shifted them to rest wavelengths, flux normalised, and median combined them into one final data product. Results: We present the fully reduced, high resolution, near-infrared spectrum of 10 Leo. This is also the first complete spectrum from the CRIRES instrument. The spectrum is available online. Conclusions: The first CRIRES-POP spectrum has exceeded our quality expectations and will form the centre of a state-of-the-art stellar atlas. This first CRIRES-POP atlas will soon be available, and further atlases will follow. All CRIRES-POP data products will be freely and publicly available online. The spectrum is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/598/A79

Multivariate curve resolution using a combination of mid-infrared and near-infrared spectra for the analysis of isothermal epoxy curing reaction

NASA Astrophysics Data System (ADS)

Yamasaki, Hideki; Morita, Shigeaki

2018-05-01

Multivariate curve resolution (MCR) was applied to a hetero-spectrally combined dataset consisting of mid-infrared (MIR) and near-infrared (NIR) spectra collected during the isothermal curing reaction of an epoxy resin. An epoxy monomer, bisphenol A diglycidyl ether (BADGE), and a hardening agent, 4,4‧-diaminodiphenyl methane (DDM), were used for the reaction. The fundamental modes of the Nsbnd H and Osbnd H stretches were highly overlapped in the MIR region, while their first overtones could be independently identified in the NIR region. The concentration profiles obtained by MCR using the hetero-spectral combination showed good agreement with the results of calculations based on the Beer-Lambert law and the mass balance. The band assignments and absorption sites estimated by the analysis also showed good agreement with the results using two-dimensional (2D) hetero-correlation spectroscopy.

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.

Science with High Spatial Resolution Far-Infrared Data

NASA Technical Reports Server (NTRS)

Terebey, Susan (Editor); Mazzarella, Joseph M. (Editor)

1994-01-01

The goal of this workshop was to discuss new science and techniques relevant to high spatial resolution processing of far-infrared data, with particular focus on high resolution processing of IRAS data. Users of the maximum correlation method, maximum entropy, and other resolution enhancement algorithms applicable to far-infrared data gathered at the Infrared Processing and Analysis Center (IPAC) for two days in June 1993 to compare techniques and discuss new results. During a special session on the third day, interested astronomers were introduced to IRAS HIRES processing, which is IPAC's implementation of the maximum correlation method to the IRAS data. Topics discussed during the workshop included: (1) image reconstruction; (2) random noise; (3) imagery; (4) interacting galaxies; (5) spiral galaxies; (6) galactic dust and elliptical galaxies; (7) star formation in Seyfert galaxies; (8) wavelet analysis; and (9) supernova remnants.

Multivariate curve resolution using a combination of mid-infrared and near-infrared spectra for the analysis of isothermal epoxy curing reaction.

PubMed

Yamasaki, Hideki; Morita, Shigeaki

2018-05-15

Multivariate curve resolution (MCR) was applied to a hetero-spectrally combined dataset consisting of mid-infrared (MIR) and near-infrared (NIR) spectra collected during the isothermal curing reaction of an epoxy resin. An epoxy monomer, bisphenol A diglycidyl ether (BADGE), and a hardening agent, 4,4'-diaminodiphenyl methane (DDM), were used for the reaction. The fundamental modes of the NH and OH stretches were highly overlapped in the MIR region, while their first overtones could be independently identified in the NIR region. The concentration profiles obtained by MCR using the hetero-spectral combination showed good agreement with the results of calculations based on the Beer-Lambert law and the mass balance. The band assignments and absorption sites estimated by the analysis also showed good agreement with the results using two-dimensional (2D) hetero-correlation spectroscopy. Copyright © 2017 Elsevier B.V. All rights reserved.

Collaborative Study for Analysis of High Resolution Infrared Atmospheric Spectra Between NASA Langley Research Center and the University of Denver

NASA Technical Reports Server (NTRS)

Goldman, A.

2002-01-01

The Langley-D.U. collaboration on the analysis of high resolultion infrared atmospheric spectra covered a number of important studies of trace gases identification and quantification from field spectra, and spectral line parameters analysis. The collaborative work included: 1) Quantification and monitoring of trace gases from ground-based spectra available from various locations and seasons and from balloon flights; 2) Identification and preliminary quantification of several isotopic species, including oxygen and Sulfur isotopes; 3) Search for new species on the available spectra, including the use of selective coadding of ground-based spectra for high signal to noise; 4) Update of spectroscopic line parameters, by combining laboratory and atmospheric spectra with theoretical spectroscopy methods; 5) Study of trends and correlations of atmosphere trace constituents; and 6) Algorithms developments, retrievals intercomparisons and automatization of the analysis of NDSC spectra, for both column amounts and vertical profiles.

The High-Resolution Far-Infrared Spectra of Sulfur Di-Cyanide S(CN)2 and the Pursuit of that of Cyanogen Iso-Thiocyanate Ncncs

NASA Astrophysics Data System (ADS)

Winnewisser, Manfred; Winnewisser, Brenda P.; De Lucia, Frank C.; Tokaryk, Dennis W.; Forthomme, Damien; Ross, Sephen C.; Billinghurst, Brant E.

2012-06-01

There are only pellet low resolution infrared spectra reported in the literature for sulfur di-cyanide S(CN){_2}, and none at all for cyanogen iso-thiocyanate, NCNCS. These two molecules are linked by a thermal isomerization reaction: NCSCN plus heat yields mainly NCNCS. Despite its difficult synthesis and its short kinetic life time, NCNCS is the best example so far of a quasi-linear molecule which clearly exhibits the distinctive monodromy-induced} dislocation of the ro-vibrational energy levels. The momentum maps (monodromy plots) of various physical quantities, such as effective rotational constants, ro-vibrational energies, dipole moment components etc. for NCNCS show at the top of the punt of the two-dimensional champaign-bottle potential energy function all the effects of quantum monodromy and exited state quantum phase transitions. For that reason it would be highly interesting to observe for NCNCS the high-resolution FIR bands of the lowest quasi-linear bending vibration. At the Canadian Light Source in May-June 2011 we first had to obtain the far-infrared spectrum of the precursor molecule S(CN)2 with the IFS125HR Bruker Fourier transform spectrometer. Six of the fundamental vibrational modes of this molecule have been observed and measured with the maximum resolution of 0.00096 cm-1. The analysis of the measured and assigned band systems is presently being carried out and will be reported in this contribution. The experimental strategy for synthesizing NCNCS and observing its FIR bands in a flow system through a multi-pass infrared absorption cell will also be discussed. B. P. Winnewisser, M. Winnewisser, I. R. Medvedev, F. C. De Lucia, S. C. Ross and J. Koput, Phys. Chem. Chem. Phys., 2010, 12, 8158-8189. D. Larese and F. Iachello, J. Mol. Struct., 1006 (2011) 611-628

High-resolution 18 CM spectra of OH/IR stars

NASA Astrophysics Data System (ADS)

Fix, John D.

1987-02-01

High-velocity-resolution, high-signal-to-noise spectra have been obtained for the 18 cm maser emission lines from a number of optically visible OH/IR stars. The spectra have been interpreted in terms of a recent model by Alcock and Ross (1986), in which OH/IR stars lose mass in discrete elements rather than by a continuous wind. Comparison of the observed spectra with synthetic spectra shows that the lines are the composite emission from thousands or tens of thousands of individual elements.

First Infrared Predissociation Spectra of He-TAGGED Protonated Primary Alcohols at 4 K

NASA Astrophysics Data System (ADS)

Stoffels, Alexander; Redlich, Britta; Oomens, J.; Asvany, Oskar; Brünken, Sandra; Jusko, Pavol; Thorwirth, Sven; Schlemmer, Stephan

2015-06-01

Cryogenic multipole ion traps have become popular devices in the development of sensitive action-spectroscopic techniques. The low ion temperature leads to enhanced spectral resolution, and less congested spectra. In the early 2000s, a 22-pole ion trap was coupled to the Free-Electron Laser for Infrared eXperiments (FELIX), yielding infrared Laser Induced Reaction (LIR) spectra of the molecular ions C_2H_2+ and CH_5+. This pioneering work showed the great opportunities combining cold mass-selected molecular ions with widely tunable broadband IR radiation. In the past year a cryogenic (T>3.9 K) 22-pole ion trap designed and built in Cologne (FELion) has been successfully coupled to FELIX, which in its current configuration provides continuously tunable infrared radiation from 3 μm to 150 μm, hence allowing to probe characteristic vibrational spectra in the so-called "fingerprint region" with a sufficient spectral energy density also allowing for multiple photon processes (IR-MPD). Here we present the first infrared predissociation spectra of He-tagged protonated methanol and ethanol (MeOH_2+/EtOH_2+) stored at 4 K. These vibrational spectra were recorded with both a commercial OPO and FELIX, covering a total spectral range from 3700 wn to 550 wn at a spectral resolution of a few wn. The H-O-H stretching and bending modes clearly distinguish the protonated alcohols from their neutral analoga. For EtOH_2+, also IR-MPD spectra of the bare ion could be recorded. The symmetric and antisymmetric H-O-H stretching bands at around 3 μm show no significant shift within the given spectral resolution in comparison to those recorded with He predissociation, indicating a rather small perturbation caused by the attached He. The vibrational bands were assigned using quantum-chemical calculations on different levels of theory. The computed frequencies correspond favorably to the experimental spectra. Subsequent high resolution measurements could lead to a better structural

Reconstruction of full high-resolution HSQC using signal split in aliased spectra.

PubMed

Foroozandeh, Mohammadali; Jeannerat, Damien

2015-11-01

Resolution enhancement is a long-sought goal in NMR spectroscopy. In conventional multidimensional NMR experiments, such as the (1) H-(13) C HSQC, the resolution in the indirect dimensions is typically 100 times lower as in 1D spectra because it is limited by the experimental time. Reducing the spectral window can significantly increase the resolution but at the cost of ambiguities in frequencies as a result of spectral aliasing. Fortunately, this information is not completely lost and can be retrieved using methods in which chemical shifts are encoded in the aliased spectra and decoded after processing to reconstruct high-resolution (1) H-(13) C HSQC spectrum with full spectral width and a resolution similar to that of 1D spectra. We applied a new reconstruction method, RHUMBA (reconstruction of high-resolution using multiplet built on aliased spectra), to spectra obtained from the differential evolution for non-ambiguous aliasing-HSQC and the new AMNA (additional modulation for non-ambiguous aliasing)-HSQC experiments. The reconstructed spectra significantly facilitate both manual and automated spectral analyses and structure elucidation based on heteronuclear 2D experiments. The resolution is enhanced by two orders of magnitudes without the usual complications due to spectral aliasing. Copyright © 2015 John Wiley & Sons, Ltd.

Analysis of fingerprints features of infrared spectra of various processed products of Radix Aconiti kusnezoffii

NASA Astrophysics Data System (ADS)

Tu-ya; Yang, Ping; Sun, Su-qin; Zhou, Qun; Bao, Xiao-hua; Noda, Isao

2010-06-01

Fourier-transform infrared spectroscopy (FTIR) and two-dimensional correlation infrared spectroscopy (2D-IR)) are employed to analyze various processed products and ether extracts of Radix Aconiti kusnezoffii. There is a resemblance among the spectra of different processed products. The major difference lies in the absorption peak at 1641 cm -1 in the IR spectra, which reflects the transformation of raw aconite to the processed products. There are distinctive differences in the absorption peaks in the range of 1800-1500 cm -1 in the second derivative spectra, which has better resolution, of different processed products. 2D-IR spectra, which elevate the resolution further, can present even more differences among the products in the range of 1800-800 cm -1. Analysis of ether extracts of various processed products proves that there are alcohols, esters, carboxylic acids or ketones in all of them. However, their contents in different samples have obvious differences. With the advantages of high resolution, high-speed and convenience, IR can quickly and precisely distinguish various processed products of Radix A. kusnezoffii, and can be applied to predict the tendency of transformation of the complicated chemical mixture systems under heat perturbation.

Hydrogen Dimers in Giant-planet Infrared Spectra

NASA Astrophysics Data System (ADS)

Fletcher, Leigh N.; Gustafsson, Magnus; Orton, Glenn S.

2018-03-01

Despite being one of the weakest dimers in nature, low-spectral-resolution Voyager/IRIS observations revealed the presence of (H2)2 dimers on Jupiter and Saturn in the 1980s. However, the collision-induced H2–H2 opacity databases widely used in planetary science have thus far only included free-to-free transitions and have neglected the contributions of dimers. Dimer spectra have both fine-scale structure near the S(0) and S(1) quadrupole lines (354 and 587 cm‑1, respectively), and broad continuum absorption contributions up to ±50 cm‑1 from the line centers. We develop a new ab initio model for the free-to-bound, bound-to-free, and bound-to-bound transitions of the hydrogen dimer for a range of temperatures (40–400 K) and para-hydrogen fractions (0.25–1.0). The model is validated against low-temperature laboratory experiments, and used to simulate the spectra of the giant planets. The new collision-induced opacity database permits high-resolution (0.5–1.0 cm‑1) spectral modeling of dimer spectra near S(0) and S(1) in both Cassini Composite Infrared Spectrometer observations of Jupiter and Saturn, and in Spitzer Infrared Spectrometer (IRS) observations of Uranus and Neptune for the first time. Furthermore, the model reproduces the dimer signatures observed in Voyager/IRIS data near S(0) on Jupiter and Saturn, and generally lowers the amount of para-H2 (and the extent of disequilibrium) required to reproduce IRIS observations.

A high-resolution atlas of the infrared spectrum of the Sun and the Earth atmosphere from space: A compilation of ATMOS spectra of the region from 650 to 4800 cm (2.3 to 16 micron). Volume 1: The Sun

NASA Technical Reports Server (NTRS)

Farmer, Crofton B.; Norton, Robert H.

1989-01-01

During the period April 29 through May 2, 1985, the Atmospheric Trace Molecular Spectroscopy experiment was operated as part of the Spacelab-3 payload of the shuttle Challenger. The instrument, a modified Michelson Interferometer covering the frequency range from 600 to 5000/cm, at a spectral resolution of 0.01/cm, recorded infrared spectra of the Sun and of the Earth's atmosphere at times close to entry into and exit from occultation by the Earth's limb as seen from the shuttle orbit of 360 km. Spectra were obtained that are free from absorptions due to constituents of the atmosphere (i.e., solar pure spectra), as well as spectra of the atmosphere itself, covering line-of-sight tangent altitudes that span the range from the lower thermosphere to the bottom of the troposphere. This atlas, believed to be the first record of observations of the continuous high resolution infrared spectrum of the Sun and the Earth's atmosphere from space, provides a compilation of these spectra arranged in a hardcopy format suitable for quick-look reference purposes; the data are also available in digital form.

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.

Partial homogeneity based high-resolution nuclear magnetic resonance spectra under inhomogeneous magnetic fields

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

Wei, Zhiliang; Lin, Liangjie; Lin, Yanqin, E-mail: linyq@xmu.edu.cn, E-mail: chenz@xmu.edu.cn

2014-09-29

In nuclear magnetic resonance (NMR) technique, it is of great necessity and importance to obtain high-resolution spectra, especially under inhomogeneous magnetic fields. In this study, a method based on partial homogeneity is proposed for retrieving high-resolution one-dimensional NMR spectra under inhomogeneous fields. Signals from series of small voxels, which characterize high resolution due to small sizes, are recorded simultaneously. Then, an inhomogeneity correction algorithm is developed based on pattern recognition to correct the influence brought by field inhomogeneity automatically, thus yielding high-resolution information. Experiments on chemical solutions and fish spawn were carried out to demonstrate the performance of the proposedmore » method. The proposed method serves as a single radiofrequency pulse high-resolution NMR spectroscopy under inhomogeneous fields and may provide an alternative of obtaining high-resolution spectra of in vivo living systems or chemical-reaction systems, where performances of conventional techniques are usually degenerated by field inhomogeneity.« less

Understanding reconstructed Dante spectra using high resolution spectroscopy

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

May, M. J., E-mail: may13@llnl.gov; Widmann, K.; Kemp, G. E.

2016-11-15

The Dante is an 18 channel filtered diode array used at the National Ignition Facility (NIF) to measure the spectrally and temporally resolved radiation flux between 50 eV and 20 keV from various targets. The absolute flux is determined from the radiometric calibration of the x-ray diodes, filters, and mirrors and a reconstruction algorithm applied to the recorded voltages from each channel. The reconstructed spectra are very low resolution with features consistent with the instrument response and are not necessarily consistent with the spectral emission features from the plasma. Errors may exist between the reconstructed spectra and the actual emissionmore » features due to assumptions in the algorithm. Recently, a high resolution convex crystal spectrometer, VIRGIL, has been installed at NIF with the same line of sight as the Dante. Spectra from L-shell Ag and Xe have been recorded by both VIRGIL and Dante. Comparisons of these two spectroscopic measurements yield insights into the accuracy of the Dante reconstructions.« less

VO-compliant libraries of high resolution spectra of cool stars

NASA Astrophysics Data System (ADS)

Montes, D.

2008-10-01

In this contribution we describe a Virtual Observatory (VO) compliant version of the libraries of high resolution spectra of cool stars described by Montes et al. (1997; 1998; and 1999). Since their publication the fully reduced spectra in FITS format have been available via ftp and in the World Wide Web. However, in the VO all the spectra will be accessible using a common web interface following the standards of the International Virtual Observatory Alliance (IVOA). These libraries include F, G, K and M field stars, from dwarfs to giants. The spectral coverage is from 3800 to 10000 Å, with spectral resolution ranging from 0.09 to 3.0 Å.

High Resolution Infrared Spectra of Plasma Jet-Cooled - and Triacetylene in the C-H Stretch Region by CW Cavity Ring-Down Spectroscopy

NASA Astrophysics Data System (ADS)

Zhao, D.; Guss, J.; Walsh, A.; Doney, K.; Linnartz, H.

2013-06-01

Polyacetylenes form an important series of unsaturated hydrocarbons that are of astrophysical interest. Small polyacetylenes have been detected from infrared observations in dense atmosphere of Titan and in a protoplanetary nebula CRL 618. We present here high-resolution mid-infrared spectra of diacetylene (HC_{4}H) and triacetylene (HC_{6}H) that are recorded in a supersonically expanded pulsed planar plasma using an ultra-sensitive detection technique. This method uses an all fiber-laser-based optical parametric oscillator (OPO), in combination with continuous wave cavity ring-down spectroscopy (cw-CRDS) as a direct absorption detection tool. A hardware-based multi-trigger concept is developed to apply cw-CRDS to pulsed plasmas. Vibrationally hot but rotationally cold HC_{4}H and HC_{6}H are produced by discharging a C_{2}H_{2}/He/Ar gas mixture which is supersonically expanded into a vacuum chamber through a slit discharge nozzle. Experimental spectra are recorded at a resolution of ˜100 MHz in the 3305-3340 cm^{-1} region, which is characteristic of the C-H stretch vibrations of HC_{4}H and HC_{6}H. Jet-cooling in our experiment reduces the rotational temperature of both HC_{4}H and HC_{6}H to <20 K. In total, ˜2000 lines are measured. More than fourteen (vibrationally hot) bands for HC_{4}H and four bands for HC_{6}H are assigned based on Loomis-Wood diagrams, and nearly half of these bands are analyzed for the first time. For both molecules improved and new molecular constants of a series of vibrational levels are presented. The accurate molecular data reported here, particularly those for low-lying (bending) vibrational levels may be used to interpret the ro-vibrational transitions in the FIR and submillimeter/THz region. D. Zhao, J. Guss, A. Walsh, H. Linnartz Chem. Phys. Lett., {dx.doi.org/10.1016/j.cplett.2013.02.025}, in press, 2013.

High precision radial velocities with GIANO spectra

NASA Astrophysics Data System (ADS)

Carleo, I.; Sanna, N.; Gratton, R.; Benatti, S.; Bonavita, M.; Oliva, E.; Origlia, L.; Desidera, S.; Claudi, R.; Sissa, E.

2016-06-01

Radial velocities (RV) measured from near-infrared (NIR) spectra are a potentially excellent tool to search for extrasolar planets around cool or active stars. High resolution infrared (IR) spectrographs now available are reaching the high precision of visible instruments, with a constant improvement over time. GIANO is an infrared echelle spectrograph at the Telescopio Nazionale Galileo (TNG) and it is a powerful tool to provide high resolution spectra for accurate RV measurements of exoplanets and for chemical and dynamical studies of stellar or extragalactic objects. No other high spectral resolution IR instrument has GIANO's capability to cover the entire NIR wavelength range (0.95-2.45 μm) in a single exposure. In this paper we describe the ensemble of procedures that we have developed to measure high precision RVs on GIANO spectra acquired during the Science Verification (SV) run, using the telluric lines as wavelength reference. We used the Cross Correlation Function (CCF) method to determine the velocity for both the star and the telluric lines. For this purpose, we constructed two suitable digital masks that include about 2000 stellar lines, and a similar number of telluric lines. The method is applied to various targets with different spectral type, from K2V to M8 stars. We reached different precisions mainly depending on the H-magnitudes: for H ˜ 5 we obtain an rms scatter of ˜ 10 m s-1, while for H ˜ 9 the standard deviation increases to ˜ 50 ÷ 80 m s-1. The corresponding theoretical error expectations are ˜ 4 m s-1 and 30 m s-1, respectively. Finally we provide the RVs measured with our procedure for the targets observed during GIANO Science Verification.

IRAS Low Resolution Spectra of Asteroids

NASA Technical Reports Server (NTRS)

Cohen, Martin; Walker, Russell G.

2002-01-01

Optical/near-infrared studies of asteroids are based on reflected sunlight and surface albedo variations create broad spectral features, suggestive of families of materials. There is a significant literature on these features, but there is very little work in the thermal infrared that directly probes the materials emitting on the surfaces of asteroids. We have searched for and extracted 534 thermal spectra of 245 asteroids from the original Dutch (Groningen) archive of spectra observed by the IRAS Low Resolution Spectrometer (LRS). We find that, in general, the observed shapes of the spectral continua are inconsistent with that predicted by the standard thermal model used by IRAS. Thermal models such as proposed by Harris (1998) and Harris et al.(1998) for the near-earth asteroids with the "beaming parameter" in the range of 1.0 to 1.2 best represent the observed spectral shapes. This implies that the IRAS Minor Planet Survey (IMPS, Tedesco, 1992) and the Supplementary IMPS (SIMPS, Tedesco, et al., 2002) derived asteroid diameters are systematically underestimated, and the albedos are overestimated. We have tentatively identified several spectral features that appear to be diagnostic of at least families of materials. The variation of spectral features with taxonomic class hints that thermal infrared spectra can be a valuable tool for taxonomic classification of asteroids.

AN ATLAS OF BRIGHT STAR SPECTRA IN THE NEAR-INFRARED FROM CASSINI-VIMS

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

Stewart, Paul N.; Tuthill, Peter G.; Nicholson, Philip D.

2015-12-15

We present the Cassini Atlas Of Stellar Spectra (CAOSS), comprised of near-infrared, low-resolution spectra of bright stars recovered from space-based observations by the Cassini spacecraft. The 65 stellar targets in the atlas are predominately M, K, and S giants. However, it also contains spectra of other bright nearby stars including carbon stars and main-sequence stars from A to F. The spectra presented are free of all spectral contamination caused by the Earth's atmosphere, including the detrimental telluric molecular bands which put parts of the near-infrared spectrum out of reach of terrestrial observations. With a single instrument, a spectro-photometric data set is recoveredmore » that spans the near-infrared from 0.8 to 5.1 μm with spectral resolution ranging from R = 53.5 to R = 325. Spectra have been calibrated into absolute flux units after careful characterization of the instrumental spectral efficiency. Spectral energy distributions for most stars match closely with literature values. All final data products have been made available online.« less

Compositional stratigraphy of crustal material from near-infrared spectra

NASA Technical Reports Server (NTRS)

Pieters, Carle M.

1987-01-01

An Earth-based telescopic program to acquire near-infrared spectra of freshly exposed lunar material now contains data for 17 large impact craters with central peaks. Noritic, gabbroic, anorthositic and troctolitic rock types can be distinguished for areas within these large craters from characteristic absorptions in individual spectra of their walls and central peaks. Norites dominate the upper lunar crust while the deeper crustal zones also contain significant amounts of gabbros and anorthosites. Data for material associated with large craters indicate that not only is the lunar crust highly heterogeneous across the nearside, but that the compositional stratigraphy of the lunar crust is nonuniform. Crustal complexity should be expected for other planetary bodies, which should be studied using high spatial and spectral resolution data in and around large impact craters.

Infrared spectra of hexamethylbenzene—tetracyanoethylene complexes at high pressures

NASA Astrophysics Data System (ADS)

Yamada, Haruka; Saheki, Masao

Infrared spectra of hexamethylbenzene(HMB)—tetracyanoethylene(TCNE), 1:1 and 2:1, complexes were measured under high pressures, 11˜4,000 bar. It was found that the CC stretching (A g) band of TCNE became much stronger at high pressures than at 1 bar and that the intensity increase of this band was especially large for both of the complexes. Based on these facts the strong appearance of the CC band at 1 bar, which is inconsistent with the symmetry consideration derived from X-ray analysis, can be discussed.

High-Resolution Infrared Spectroscopy and Analysis of the ν_2/ν_4 Bending Dyad and ν_3 Stretching Fundamental of Ruthenium Tetroxide

NASA Astrophysics Data System (ADS)

Faye, Mbaye; Reymond-Laruinaz, Sébastien; Vander Auwera, Jean; Boudon, Vincent; Doizi, Denis; Manceron, Laurent

2017-06-01

RuO_4 is a heavy tetrahedral molecule which has practical uses for several industrial fields. Due to its chemical toxicity and the radiological impact of its 103 and 106 isotopologues, the possible remote sensing of this compound in the atmosphere has renewed interest in its spectroscopic properties. We investigate here for the first time at high resolution the bending dyad region in the far IR and the line intensities in the ν_3 stretching region. Firstly, new high resolution FTIR spectra of the bending modes region in the far infrared have been recorded at room temperature, using a specially constructed cell and an isotopically pure sample of {}^{102}RuO_4. New assignments and effective Hamiltonian parameter fits for this main isotopologue have been performed, treating the whole ν_2/ν_4 bending mode dyad. We provide precise effective Hamiltonian parameters, including band centers and Coriolis interaction parameters. Secondly, we investigate the line intensities for the strongly infrared active stretching mode ν_3, in the mid infrared window near 10 μm. New high resolution FTIR spectra have also been recorded at room temperature, using the same cell and sample. Using assignments and effective Hamiltonian parameter for {}^{102}RuO_4, line intensities have been retrieved and the dipole moment parameters fitted for the ν_3 fundamental. A frequency and intensity line list is proposed.

The quality of geological information derivable from high resolution reflectance spectra - Results for mafic silicates

NASA Technical Reports Server (NTRS)

Cloutis, E. A.; Lambert, J.; Smith, D. G. W.; Gaffey, M. J.

1987-01-01

High-resolution visible and near-infrared diffuse reflectance spectra of mafic silicates can be deconvolved to yield quantitative information concerning mineral mixture properties, and the results can be directly applied to remotely sensed data. Spectral reflectance measurements of laboratory mixtures of olivine, orthophyroxene, and clinopyroxene with known chemistries, phase abundances, and particle size distributions have been utilized to develop correlations between spectral properties and the physicochemical parameters of the samples. A large number of mafic silicate spectra were measured and examined for systematic variations in spectral properties as a function of chemistry, phase abundance, and particle size. Three classes of spectral parameters (ratioed, absolute, and wavelength) were examined for any correlations. Each class is sensitive to particular mafic silicate properties. Spectral deconvolution techniques have been developed for quantifying, with varying degrees of accuracy, the assemblage properties (chemistry, phase abundance, and particle size).

High resolution power spectra of daily Zurich sunspot numbers

NASA Technical Reports Server (NTRS)

Euler, H. C., Jr.

1973-01-01

High resolution power spectra of 77 years of Zurich daily sunspot numbers were computed using various lags and data point intervals. Major harmonic peaks of the approximately 124-month period showed up strongly as well as the 27-day solar rotational period.

The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2015-12-14

Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is not sufficient for reliable spectra prediction. In this paper, we present the anharmonic theoretical spectra of three PAHs: naphthalene, anthracene, and tetracene, computed with a locally modified version of the SPECTRO program using Cartesian derivatives transformed from Gaussian 09 normal coordinate force constants. Proper treatments of Fermi resonances lead to an impressive improvement on the agreement between the observed and theoretical spectra, especially in the C-H stretching region. All major IR absorption features in the full-scale matrix-isolated spectra, the high-temperature gas-phase spectra, and the most recent high-resolution gas-phase spectra obtained under supersonically cooled molecular beam conditions in the CH-stretching region are assigned.

The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene

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

Mackie, Cameron J., E-mail: mackie@strw.leidenuniv.nl; Candian, Alessandra; Tielens, Alexander G. G. M.

2015-12-14

Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is not sufficient for reliable spectra prediction. In this paper, we present the anharmonic theoretical spectra of three PAHs: naphthalene, anthracene, and tetracene, computed with a locally modified version of the SPECTRO program using Cartesianmore » derivatives transformed from Gaussian 09 normal coordinate force constants. Proper treatments of Fermi resonances lead to an impressive improvement on the agreement between the observed and theoretical spectra, especially in the C–H stretching region. All major IR absorption features in the full-scale matrix-isolated spectra, the high-temperature gas-phase spectra, and the most recent high-resolution gas-phase spectra obtained under supersonically cooled molecular beam conditions in the CH-stretching region are assigned.« less

NLTE ANALYSIS OF HIGH-RESOLUTION H -BAND SPECTRA. I. NEUTRAL SILICON

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

Zhang, Junbo; Shi, Jianrong; Liu, Chao

We investigated the reliability of our silicon atomic model and the influence of non-local thermodynamical equilibrium (NLTE) on the formation of neutral silicon (Si i) lines in the near-infrared (near-IR) H -band. We derived the differential Si abundances for 13 sample stars with high-resolution H -band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE), as well as from optical spectra, both under local thermodynamical equilibrium (LTE) and NLTE conditions. We found that the differences between the Si abundances derived from the H -band and from optical lines for the same stars are less than 0.1 dex when themore » NLTE effects are included, and that NLTE reduces the line-to-line scatter in the H -band spectra for most sample stars. These results suggest that our Si atomic model is appropriate for studying the formation of H -band Si lines. Our calculations show that the NLTE corrections of the Si i H -band lines are negative, i.e., the final Si abundances will be overestimated in LTE. The corrections for strong lines depend on surface gravity, and tend to be larger for giants, reaching ∼−0.2 dex in our sample, and up to ∼−0.4 dex in extreme cases of APOGEE targets. Thus, the NLTE effects should be included in deriving silicon abundances from H -band Si i lines, especially for the cases where only strong lines are available.« less

A Thermal Infrared Emission Spectra Library for Unpowdered Meteorites

NASA Astrophysics Data System (ADS)

Ashley, J. W.; Christensen, P. R.

2007-12-01

interpretation of asteroid spectroscopic studies in the mid-infrared [4]. However, the high-resolution Itokawa imaging results of the Hayabusa mission have shown that not all asteroid surfaces are dominated by powdered materials [e.g. 5]. It is therefore anticipated that whole-rock, mid-infrared emission spectra may serve a further purpose in studies conducted with Spitzer Space Telescope and other space-born observatories equipped with mid-infrared detectors. The library will therefore continue to be augmented with additional spectra, to include unweathered carbonaceous chondrites and achondrites at a minimum. All spectra are available through the Arizona State University Thermal Emission Spectral Library. References: [1] Sato K. and Miyamoto M. (1998) Antarctic Meteorite Research 11, 155-162. [2] Salisbury J.W. et al. (1991) NASA Technical Memorandum #4300, 262-204. [3] Dameron S.N. and Burbine T.H. (2006) LPSC XXXVII, abstract #1828. [4] Emery J.P. et al. (2006) Icarus 182, 496-512. [5] Miyamoto et al. (2007) Science 316, 1011- 1014.

High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene)

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

Wright, Corey; Holmes, Joshua; Nibler, Joseph W.

2013-05-16

Combined high-resolution spectroscopic, electron-diffraction, and quantum theoretical methods are particularly advantageous for small molecules of high symmetry and can yield accurate structures that reveal subtle effects of electron delocalization on molecular bonds. The smallest of the radialene compounds, trimethylenecyclopropane, [3]-radialene, has been synthesized and examined in the gas phase by these methods. The first high-resolution infrared spectra have been obtained for this molecule of D3h symmetry, leading to an accurate B0 rotational constant value of 0.1378629(8) cm-1, within 0.5% of the value obtained from electronic structure calculations (density functional theory (DFT) B3LYP/cc-pVTZ). This result is employed in an analysis ofmore » electron-diffraction data to obtain the rz bond lengths (in Å): C-H = 1.072 (17), C-C = 1.437 (4), and C=C = 1.330 (4). The analysis does not lead to an accurate value of the HCH angle; however, from comparisons of theoretical and experimental angles for similar compounds, the theoretical prediction of 117.5° is believed to be reliable to within 2°. The effect of electron delocalization in radialene is to reduce the single C-C bond length by 0.07 Å compared to that in cyclopropane.« less

High spectral resolution remote sensing of canopy chemistry

NASA Technical Reports Server (NTRS)

Aber, John D.; Martin, Mary E.

1995-01-01

Near infrared laboratory spectra have been used for many years to determine nitrogen and lignin concentrations in plant materials. In recent years, similar high spectral resolution visible and infrared data have been available via airborne remote sensing instruments. Using data from NASA's Airborne visible/Infrared Imaging Spectrometer (AVIRIS) we attempt to identify spectral regions correlated with foliar chemistry at the canopy level in temperate forests.

High Resolution Mass Spectra Analysis with a Programmable Calculator.

ERIC Educational Resources Information Center

Holdsworth, David K.

1980-01-01

Highlighted are characteristics of programs written for a pocket-sized programmable calculator to analyze mass spectra data (such as displaying high resolution masses for formulas, predicting whether formulas are stable molecules or molecular ions, determining formulas by isotopic abundance measurement) in a laboratory or classroom. (CS)

INTRIGOSS: A new Library of High Resolution Synthetic Spectra

NASA Astrophysics Data System (ADS)

Franchini, Mariagrazia; Morossi, Carlo; Di Marcancantonio, Paolo; Chavez, Miguel; GES-Builders

2018-01-01

INTRIGOSS (INaf Trieste Grid Of Synthetic Spectra) is a new High Resolution (HiRes) synthetic spectral library designed for studying F, G, and K stars. The library is based on atmosphere models computed with specified individual element abundances via ATLAS12 code. Normalized SPectra (NSP) and surface Flux SPectra (FSP), in the 4800-5400 Å wavelength range, were computed by means of the SPECTRUM code. The synthetic spectra are computed with an atomic and bi-atomic molecular line list including "bona fide" Predicted Lines (PLs) built by tuning loggf to reproduce very high SNR Solar spectrum and the UVES-U580 spectra of five cool giants extracted from the Gaia-ESO survey (GES). The astrophysical gf-values were then assessed by using more than 2000 stars with homogenous and accurate atmosphere parameters and detailed chemical composition from GES. The validity and greater accuracy of INTRIGOSS NSPs and FSPs with respect to other available spectral libraries is discussed. INTRIGOSS will be available on the web and will be a valuable tool for both stellar atmospheric parameters and stellar population studies.

A high-resolution extraterrestrial solar spectrum and water vapour continuum at near infrared wavelengths from ground-based spectrometer measurements

NASA Astrophysics Data System (ADS)

Menang, K. P.

A high resolution extraterrestrial solar spectrum (CAVIAR solar spectrum) and water vapour continuum have been derived in near infrared windows from 2000-10000 cm-1 (105μm), by applying the Langley technique to calibrated ground-based high-resolution Fourier transform spectrometer measurements, made under clear-sky conditions. The effect of the choice of an extraterrestrial solar spectrum for radiative transfer calculations of clear-sky absorption and heating rates in the near infrared was also studied. There is a good agreement between the solar lines strengths and positions of the CAVIAR solar spectrum and those from both high-resolution satellite and ground-based measurements in their regions of spectral overlap. However, there are significant differences between the structure of the CAVIAR solar spectrum and spectra from models. Many of the detected lines are missing from widely-used modelled extraterrestrial solar spectrum. The absolute level and hence wavenumber-integrated solar irradiance of the CAVIAR solar spectrum was also found to be 8% lower than the satellite-based Thuillier et al spectra from 5200-10000 cm-1. Using different extraterrestrial solar spectra for radiative transfer calculations in the near infrared led to differences of up to about 11 W m-2 (8.2%) in the absorbed solar irradiance while the tropospheric and stratospheric heating rates could respectively differ by up to about 0.13K day-1 (8.1%) and 0.19 K day-1 (7.6%) for an overhead Sun and mid-latitude summer atmosphere. This work has shown that the widely-used empirically modelled continuum may be underestimating the strength of the water vapour continuum from 2000-10000 cm-1, with the derived continuum up to more than 2 orders of magnitude stronger at some wavenumbers in the windows. The derived continuum is also stronger than that implied by laboratory measurements, by a factor of up to 40 in some spectral regions.

Infrared and Microwave Spectra of Ne-WATER Complex

NASA Astrophysics Data System (ADS)

Liu, Xunchen; Thomas, Javix; Xu, Yunjie; Hou, Dan; Li, Hui

2016-06-01

The binary complex of rare gas atom and water is an ideal model to study the anisotropic potential energy surface of van der Waals interaction and the large amplitude motion. Although Xe-H_2O, Kr-H_2O, Ar-H_2O, Ar-D_2O and even Ne-D_2O complexes were studied by microwave or high resolution infrared spectroscopy, the lighter Ne-H_2O complex has remained unidentified. In this talk, we will present the theoretical and experimental investigation of the Ne-H_2O complex. A four-dimension PES for H_2O-Ne which only depended on the intramolecular (Q2) normal-mode coordinate of H2O monomer was calculated in this work to determine the rovibrational energy levels and mid-infrared transitions. Aided with the calculated transitions, we were able to assigned the high resolution mid-infrared spectra of both 20Ne-H_2O and 22Ne-H_2O complexes that are generated with a pulsed supersonic molecular beam in a multipass direct absorption spectrometer equiped with an external cavity quantum cascade laser at 6 μm. Several bands of both para and ortho Ne-H2O were assigned and fitted using the Hamiltonian with strong Coriolis and angular-radical coupling terms. The predicted groud state energy levels are then confirmed by the J=1-0 and J=2-1 transitions measurement using a cavity based Fourier transform microwave spectrometer.

Vertical Profiles of Aerosol Volume from High Spectral Resolution Infrared Transmission Measurements: Results

NASA Technical Reports Server (NTRS)

Eldering, Annmarie; Kahn, Brian H.; Mills, Franklin P.; Irion, Fredrick W.; Steele, Helen M.; Gunson, Michael R.

2004-01-01

The high-resolution infrared absorption spectra of the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment are utilized to derive vertical profiles of sulfate aerosol volume density and extinction coefficient. Following the eruption of Mt. Pinatubo in June 1991, the ATMOS spectra obtained on three Space Shuttle missions (1992, 1993, and 1994) provide a unique opportunity to study the global stratospheric sulfate aerosol layer shortly after a major volcanic eruption and periodically during the decay phase. Synthetic sulfate aerosol spectra are fit to the observed spectra, and a global fitting inversion routine is used to derive vertical profiles of sulfate aerosol volume density. Vertical profiles of sulfate aerosol volume density for the three missions over portions of the globe are presented, with the peak in aerosol volume density occurring from as low as 10 km (polar latitudes) to as high as 20 km (subtropical latitudes). Derived aerosol volume density is as high as 2-3.5 (mu)m(exp 3) per cubic centimeter +/-10% in 1992, decreasing to 0.2-0.5 (mu)m(exp 3) per cubic centimeter +/-20% in 1994, in agreement with other experiments. Vertical extinction profiles derived from ATMOS are compared with profiles from Improved Stratospheric And Mesospheric Sounder (ISAMS) and Cryogenic Limb Array Etalon Spectrometer (CLAES) that coincide in space and time and show good general agreement. The uncertainty of the ATMOS vertical profiles is similar to CLAES and consistently smaller than ISAMS at similar altitudes.

The anharmonic quartic force field infrared spectra of hydrogenated and methylated PAHs.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2018-01-03

Polycyclic aromatic hydrocarbons (PAHs) have been shown to be ubiquitous in a large variety of distinct astrophysical environments and are therefore of great interest to astronomers. The majority of these findings are based on theoretically predicted spectra, which make use of scaled DFT harmonic frequencies for band positions and the double harmonic approximation for intensities. However, these approximations have been shown to fail at predicting high-resolution gas-phase infrared spectra accurately, especially in the CH-stretching region (2950-3150 cm -1 , 3 μm). This is particularly worrying for the subset of hydrogenated or methylated PAHs to which astronomers attribute the observed non-aromatic features that appear in the CH-stretching region of spectral observations of the interstellar medium (ISM). In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs and five non-linear PAHs, demonstrating the importance of including anharmonicities into theoretical calculations. In this work we extend these techniques to two methylated PAHs (9-methylanthracene, and 9,10-dimethylanthracene) and four hydrogenated PAHs (9,10-dihydroanthracene, 9,10-dihydrophenanthrene, 1,2,3,4-tetrahydronaphthalene, and 1,2,3,6,7,8-hexahydropyrene) in order to better understand the aliphatic IR features of substituted PAHs. The theoretical spectra are compared with the spectra obtained under matrix isolation low-temperature conditions for the full vibrational fundamental range and under high-resolution, low-temperature gas-phase conditions for the CH-stretching region. Excellent agreement is observed between the theoretical and high-resolution experimental spectra with a deviation of 0.00% ± 0.17%, and changes to the spectra of PAHs upon methylation and hydrogenated are tracked accurately and explained.

The Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII): High Angular Resolution Astronomy at Far-Infrared Wavelengths

NASA Technical Reports Server (NTRS)

Rinehart, Stephen A.

2008-01-01

Astronomical studies at infrared wavelengths have dramatically improved our understanding of the universe, and observations with Spitzer, the upcoming Herschel mission. and SOFIA will continue to provide exciting new discoveries. The comparatively low spatial resolution of these missions, however. is insufficient to resolve the physical scales on which mid- to far-infrared emission arises, resulting in source and structure ambiguities that limit our ability to answer key science questions. Interferometry enables high angular resolution at these wavelengths. We have proposed a new high altitude balloon experiment, the Balloon Experimental Twin Telescope for Infrared Interferometry (BETTII). High altitude operation makes far-infrared (30- 300micron) observations possible, and BETTII's 8-meter baseline provides unprecedented angular resolution (-0.5 arcsec) in this band. BETTII will use a double- Fourier instrument to simultaneously obtain both spatial and spectral informatioT. he spatially resolved spectroscopy provided by BETTII will address key questions about the nature of disks in young cluster stars and active galactic nuclei and the envelopes of evolved stars. BETTII will also lay the groundwork for future space interferometers.

High Resolution Frequency Measurements of Far-Infrared Laser Lines

DTIC Science & Technology

2010-04-01

1 High Resolution Frequency Measurements of Far-Infrared Laser Lines Elizabeth J. Ehasz, Thomas M. Goyette, Robert H. Giles and William E. Nixon...Abstract—The frequency of four previously reported far- infrared laser lines have been measured to an accuracy of 100 kHz. These laser lines were measured ... frequencies measured here and the listed frequencies for these laser lines ranged from 59 MHz to 3.9 GHz. Index Terms—FIR Laser, Gas Laser, Molecular

Update from the Analysis of High Resolution Propane Spectra and the Interpretation of Titan's Infrared Spectra

NASA Technical Reports Server (NTRS)

Klavans, V.; Nixon, C.; Hewagama, T.; Jennings, D. E.

2012-01-01

Titan has an extremely thick atmosphere dominated by nitrogen, but includes a range of trace species such as hydrocarbons and nitriles. One such hydrocarbon is propane (C3H8). Propane has 21 active IR bands covering broad regions of the mid-infrared. Therefore, its ubiquitous signature may potentially mask weaker signatures of other undetected species with important roles in Titan's chemistry. Cassini's Composite Infrared Spectrometer (CIRS) observations of Titan's atmosphere hint at the presence of such molecules. Unfortunately, C3H8 line atlases for the vibration bands V(sub 8), V(sub 21), V(sub 20), and V(sub 7) (869, 922, 1054, and 1157 per centimeter, respectively) are not currently available for subtracting the C3H8 signal to reveal, or constrain, the signature of underlying chemical species. Using spectra previously obtained by Jennings, D. E., et al. at the McMath-Pierce FTIR at Kitt Peak, AZ, as the source and automated analysis utilities developed for this application, we are compiling an atlas of spectroscopic parameters for propane that characterize the ro-vibrational transitions in the above bands. In this paper, we will discuss our efforts for inspecting and fitting the aforementioned bands, present updated results for spectroscopic parameters including absolute line intensities and transition frequencies in HITRAN and GEISA formats, and show how these optical constants will be used in searching for other trace chemical species in Titan's atmosphere. Our line atlas for the V(sub 21) band contains a total number of 2971 lines. The band integrated strength calculated for the V(sub 21) band is 1.003 per centimeter per (centimeter-atm).

Two High-Resolution, Quantitative, Infrared Spectral Libraries for Atmospheric Chemistry

NASA Astrophysics Data System (ADS)

Johnson, T. J.; Sharpe, S. W.; Sams, R. L.; Chu, P. M.

2001-12-01

The Pacific Northwest National Laboratory (PNNL) and the National Institute of Standards and Technology (NIST) are independently creating quantitative, 0.10 cm-1 resolution, infrared spectral libraries of vapor phase compounds. Both libraries contain many species of use to the gas-phase spectroscopist, including for atmospheric chemistry. The NIST library will consist of approximately 100 vapor phase spectra primarily associated with volatile hazardous air pollutants (HAPs) and suspected greenhouse gases, whereas the PNNL library will consist of approximately 400 vapor phase spectra associated with DOE's remediation mission. Data are being recorded from 600 to 6500 cm-1 to cover not only the classical fingerprint region, but much of the near-infrared as well. The wavelength axis is calibrated against published standards. To prepare the samples, the two laboratories use significantly different sample preparation and handling techniques: NIST uses gravimetric dilution and a continuous flowing sample while PNNL uses partial pressure dilution and a static sample. The data are validated against one another and agreement on the ordinate axis is generally found to be within the statistical uncertainties (2σ ) of the Beer's law fit and less than 3 % of the total integrated band areas for the 4 chemicals used in this comparison. The nature of the two databases and the rigorous nature used to acquire the data will be briefly discussed.

High-Resolution Mars Camera Test Image of Moon Infrared

NASA Image and Video Library

2005-09-13

This crescent view of Earth Moon in infrared wavelengths comes from a camera test by NASA Mars Reconnaissance Orbiter spacecraft on its way to Mars. This image was taken by taken by the High Resolution Imaging Science Experiment camera Sept. 8, 2005.

High Resolution Far-Infrared Spectra of Thiophosgene with a Synchrotron Source: The ν2 and ν4 Bands Near 500 cm-1

NASA Astrophysics Data System (ADS)

McKellar, A. R. W.; Billinghurst, B. E.

2010-02-01

Thiophosgene (Cl2CS) is a favorite model system for studies of vibrational dynamics. But there are no previous rotationally-resolved infrared studies because the spectra are very congested due to its (relatively) large mass and multiple isotopic species. Here we report a detailed gas-phase study of the ν2 (˜504 cm-1) and ν4 (˜471 cm-1) fundamental bands, based on spectra obtained at the Canadian Light Source far-infrared beamline using synchrotron radiation and a Bruker IFS125 FT spectrometer.

Automatic classification of spectra from the Infrared Astronomical Satellite (IRAS)

NASA Technical Reports Server (NTRS)

Cheeseman, Peter; Stutz, John; Self, Matthew; Taylor, William; Goebel, John; Volk, Kevin; Walker, Helen

1989-01-01

A new classification of Infrared spectra collected by the Infrared Astronomical Satellite (IRAS) is presented. The spectral classes were discovered automatically by a program called Auto Class 2. This program is a method for discovering (inducing) classes from a data base, utilizing a Bayesian probability approach. These classes can be used to give insight into the patterns that occur in the particular domain, in this case, infrared astronomical spectroscopy. The classified spectra are the entire Low Resolution Spectra (LRS) Atlas of 5,425 sources. There are seventy-seven classes in this classification and these in turn were meta-classified to produce nine meta-classes. The classification is presented as spectral plots, IRAS color-color plots, galactic distribution plots and class commentaries. Cross-reference tables, listing the sources by IRAS name and by Auto Class class, are also given. These classes show some of the well known classes, such as the black-body class, and silicate emission classes, but many other classes were unsuspected, while others show important subtle differences within the well known classes.

High Resolution Spectroscopy to Support Atmospheric Measurements

NASA Technical Reports Server (NTRS)

Venkataraman, Malathy Devi

2003-01-01

Spectroscopic parameters (such as line position, intensity, broadening and shifting coefficients and their temperature dependences, line mixing coefficients etc.) for various molecular species of atmospheric interest are determined. In order to achieve these results, infrared spectra of several molecular bands are obtained using high-resolution recording instruments such as tunable diode laser spectrometer and Fourier transform spectrometers. Using sophisticated analysis routines (Multispectrum nonlinear least squares technique) these high-resolution infrared spectra are processed to determine the various spectral line parameters that are cited above. Spectra were taken using the McMath-Pierce Fourier transform spectrometer (FTS) at the National Solar Observatory on Kitt Peak, Arizona as well as the Bruker FTS at the Pacific Northwest National Laboratory (PNNL) at Richland, Washington. Most of the spectra are acquired not only at room temperature, but also at several different cold temperatures. This procedure is necessary to study the variation of the spectral line parameters as a function of temperature in order to simulate the Earth's and other planetary atmospheric environments. Depending upon the strength or weakness of the various bands recorded and analyzed, the length(s) of the absorption cells in which the gas samples under study are kept varied from a few centimeters up to several meters and the sample temperatures varied from approximately +30 C to -63 C. Research on several infrared bands of various molecular species and their isotopomers are undertaken. Those studies are briefly described.

The 4 micron spectra of compact infrared sources

NASA Technical Reports Server (NTRS)

Hofmann, R.; Larson, H. P.; Fink, U.

1986-01-01

High resolution 5 arcsec spectra in the 4 micron region are presented of the central 5 arcsec of the compact near infrared sources K3-50, W51-IRS2 East, and G333.6-0.2. From measured Br-alpha/Pf-beta line ratios and previously published infrared and radio maps, it is concluded that standard recombination theory fails to explain our observations in at least two cases. It is demonstrated that the data are consistent with thermal excitation of the hydrogen lines in strong stellar winds. The Pf-beta Hu-epsilon line ratio, which is completely insensitive to differential extinction, confirms the need for the stellar wind model for the core of G333.6-0.2. From the (K III) line it is estimated that the potassium abundance in G333.6-0.2 is at least equal to the solar value, and possibly enhanced by a factor up to 10.

Substitution structure of cyanogen, NCCN, from high-resolution far infrared spectra

NASA Astrophysics Data System (ADS)

Grecu, John C.; Winnewisser, Brenda P.; Winnewisser, Manfred

2003-04-01

The lowest lying vibrational bands of the gas-phase spectra of cyanogen, NCCN, and four of its isotopomers, 15NCCN, N13CCN, 15NCC15N, and N13C13CN, were recorded with a Fourier transform interferometer. The resolution was limited by the maximum optical path difference (MOPD) attainable with the interferometer to FWHM=0.0012 cm-1. Rovibrational transitions of the ν5 ( ≈230 cm-1) and also the ν2- ν5 ( ≈610 cm-1) band systems were assigned for all five isotopomers. The use of an effective Hamiltonian for linear molecules to fit the data yielded precise spectroscopic vibrational and rotational constants for the vibrational states ( v1v2v3v4v5) or ( v4v5)=(00), (01), (02), (03), and (01000). These data include the first rotationally resolved transitions involving (01000). Complete substitution ( rs) structures of cyanogen, based on both single and double isotopic substitution of the parent species, were calculated. The derived structure is rCC=138.48(17) pm and rCN=115.66(13) pm. The two rs structures coincide within the errors due to remaining contributions of zero-point vibrations.

The Spitzer Infrared Nearby Galaxies Survey: A High-Resolution Spectroscopy Anthology

NASA Astrophysics Data System (ADS)

Dale, D. A.; Smith, J. D. T.; Schlawin, E. A.; Armus, L.; Buckalew, B. A.; Cohen, S. A.; Helou, G.; Jarrett, T. H.; Johnson, L. C.; Moustakas, J.; Murphy, E. J.; Roussel, H.; Sheth, K.; Staudaher, S.; Bot, C.; Calzetti, D.; Engelbracht, C. W.; Gordon, K. D.; Hollenbach, D. J.; Kennicutt, R. C.; Malhotra, S.

2009-03-01

High-resolution mid-infrared spectra are presented for 155 nuclear and extranuclear regions from the Spitzer Infrared Nearby Galaxies Survey (SINGS). The fluxes for nine atomic forbidden and three molecular hydrogen mid-infrared emission lines are also provided, along with upper limits in key lines for infrared-faint targets. The SINGS sample shows a wide range in the ratio of [S III] 18.71 μm/[S III] 33.48 μm, but the average ratio of the ensemble indicates a typical interstellar electron density of 300-400 cm-3 on ~23'' × 15'' scales and 500-600 cm-3 using ~11'' × 9'' apertures, independent of whether the region probed is a star-forming nuclear, a star-forming extranuclear, or an active galactic nuclei (AGN) environment. Evidence is provided that variations in gas-phase metallicity play an important role in driving variations in radiation field hardness, as indicated by [Ne III] 15.56 μm/[Ne II] 12.81 μm, for regions powered by star formation. Conversely, the radiation hardness for galaxy nuclei powered by accretion around a massive black hole is independent of metal abundance. Furthermore, for metal-rich environments AGN are distinguishable from star-forming regions by significantly larger [Ne III] 15.56 μm/[Ne II] 12.81 μm ratios. Finally, [Fe II] 25.99 μm/[Ne II] 12.81 μm versus [Si II] 34.82 μm/[S III] 33.48 μm also provides an empirical method for discerning AGN from normal star-forming sources. However, similar to [Ne III] 15.56 μm/[Ne II] 12.81 μm, these mid-infrared line ratios lose their AGN/star-formation diagnostic powers for very low metallicity star-forming systems with hard radiation fields.

High-resolution absorption measurements of NH3 at high temperatures: 500-2100 cm-1

NASA Astrophysics Data System (ADS)

Barton, Emma J.; Yurchenko, Sergei N.; Tennyson, Jonathan; Clausen, Sønnik; Fateev, Alexander

2015-12-01

High-resolution absorption spectra of NH3 in the region 500-2100 cm-1 at temperatures up to 1027 °C and approximately atmospheric pressure (1013±20 mbar) are measured. NH3 concentrations of 1000 ppm, 0.5% and 1% in volume fraction were used in the measurements. Spectra are recorded in high temperature gas flow cells using a Fourier Transform Infrared (FTIR) spectrometer at a nominal resolution of 0.09 cm-1. Measurements at 22.7 °C are compared to high-resolution cross sections available from the Pacific Northwest National Laboratory (PNNL). The higher temperature spectra are analysed by comparison to a variational line list, BYTe, and experimental energy levels determined using the MARVEL procedure. Approximately 2000 lines have been assigned, of which 851 are newly assigned to mainly hot bands involving vibrational states as high as v2=5.

Analysis of High-Resolution Infrared and CARS Spectra of ³⁴S¹⁸O₃

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

Masiello, Tony; Vulpanovici, Nicolae; Barber, Jeffrey B.

2004-09-11

As part of a series of investigations of isotopic forms of sulfur trioxide, high-resolution infrared and coherent anti-Stokes Raman spectroscopies were used to study the fundamental modes and several hot bands of 32S18O3. Hot bands originating from the v2 and v4 bending mode levels have been found to couple strongly to the IR-inactive v1 symmetric stretching mode through indirect Coriolis interactions and Fermi resonances. Coriolis coupling effects are particularly noticeable in 32S18O3 due to the close proximity of the v2 and v4 fundamental vibrations, whose deperturbed wavenumber values are 486.488 13(4) and 504.284 77(4) cm-1. The uncertainties in the lastmore » digits are shown in parentheses and are two standard deviations. From the infrared transitions, accurate rovibrational constants are deduced for all of the mixed states, leading to deperturbed values for v1, and of 1004.68(2), 0.000 713(2), and 0.000 348(2) cm-1, respectively. The Be value is found to be 0.310 820(2) cm-1, yielding an equilibrium bond length re of 141.7333(4) pm that is, within experimental error, identical to the value of 141.7339(3) pm reported previously for 34S18O3. With this work, precise and accurate spectroscopic constants have now been determined in a systematic and consistent manner for all the fundamental vibrational modes of the sulfur trioxide D3h isotopomeric forms 32S16O3, 34S16O3, 32S18O3, and 34S18O3.« less

High-Resolution Infrared Filter System for Solar Spectroscopy and Polarimetry

NASA Astrophysics Data System (ADS)

Cao, W.; Ma, J.; Wang, J.; Goode, P. R.; Wang, H.; Denker, C.

2003-05-01

We report on the design of an imaging filter system working at the near infrared (NIR) of 1.56 μ m to obtain monochromatic images and to probe weak magnetic fields in different layers of the deep photosphere with high temporal resolution and spatial resolution at Big Bear Solar Observatory (BBSO). This filter system consists of an interference filter, a birefringent filter, and a Fabry-Pérot etalon. As the narrowest filter system, the infrared Fabry-Pérot plays an important role in achieving narrow band transmission and high throughput, maintaining wavelength tuning ability, and assuring stability and reliability. In this poster, we outline a set of methods for the evaluation and calibration of the near infrared Fabry-Pérot etalon. Two-dimensional characteristic maps of the near infrared Fabry-Pérot etalon, including full-width-at-half-maximum (FWHM), effective finesse, peak transmission, along with free spectral range, flatness, roughness, stability and repeatability were obtained with lab equipments. Finally, by utilizing these results, a detailed analysis of the filter performance for the Fe I 1.5648 μ m and Fe I 1.5652 μ m Zeeman sensitive lines is presented. These results will benefit the design of NIR spectro-polarimeter of Advanced Technology Solar Telescope (ATST).

TESTING THE HYPOTHESIS THAT METHANOL MASER RINGS TRACE CIRCUMSTELLAR DISKS: HIGH-RESOLUTION NEAR-INFRARED AND MID-INFRARED IMAGING

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

De Buizer, James M.; Bartkiewicz, Anna; Szymczak, Marian, E-mail: jdebuizer@sofia.usra.edu

2012-08-01

Milliarcsecond very long baseline interferometry maps of regions containing 6.7 GHz methanol maser emission have lead to the recent discovery of ring-like distributions of maser spots and the plausible hypothesis that they may be tracing circumstellar disks around forming high-mass stars. We aimed to test this hypothesis by imaging these regions in the near- and mid-infrared at high spatial resolution and compare the observed emission to the expected infrared morphologies as inferred from the geometries of the maser rings. In the near-infrared we used the Gemini North adaptive optics system of ALTAIR/NIRI, while in the mid-infrared we used the combinationmore » of the Gemini South instrument T-ReCS and super-resolution techniques. Resultant images had a resolution of {approx}150 mas in both the near-infrared and mid-infrared. We discuss the expected distribution of circumstellar material around young and massive accreting (proto)stars and what infrared emission geometries would be expected for the different maser ring orientations under the assumption that the masers are coming from within circumstellar disks. Based upon the observed infrared emission geometries for the four targets in our sample and the results of spectral energy distribution modeling of the massive young stellar objects associated with the maser rings, we do not find compelling evidence in support of the hypothesis that methanol masers rings reside in circumstellar disks.« less

Mid-infrared spectra of comet nuclei

NASA Astrophysics Data System (ADS)

Kelley, Michael S. P.; Woodward, Charles E.; Gehrz, Robert D.; Reach, William T.; Harker, David E.

2017-03-01

Comet nuclei and D-type asteroids have several similarities at optical and near-IR wavelengths, including near-featureless red reflectance spectra, and low albedos. Mineral identifications based on these characteristics are fraught with degeneracies, although some general trends can be identified. In contrast, spectral emissivity features in the mid-infrared provide important compositional information that might not otherwise be achievable. Jovian Trojan D-type asteroids have emissivity features strikingly similar to comet comae, suggesting that they have the same compositions and that the surfaces of the Trojans are highly porous. However, a direct comparison between a comet and asteroid surface has not been possible due to the paucity of spectra of comet nuclei at mid-infrared wavelengths. We present 5-35 μm thermal emission spectra of comets 10P/Tempel 2, and 49P/Arend-Rigaux observed with the Infrared Spectrograph on the Spitzer Space Telescope. Our analysis reveals no evidence for a coma or tail at the time of observation, suggesting the spectra are dominated by the comet nucleus. We fit each spectrum with the near-Earth asteroid thermal model (NEATM) and find sizes in agreement with previous values. However, the NEATM beaming parameters of the nuclei, 0.74-0.83, are systematically lower than the Jupiter-family comet population mean of 1.03 ± 0.11, derived from 16- and 22-μm photometry. We suggest this may be either an artifact of the spectral reduction, or the consequence of an emissivity low near 16 μm. When the spectra are normalized by the NEATM model, a weak 10-μm silicate plateau is evident, with a shape similar to those seen in mid-infrared spectra of D-type asteroids. A silicate plateau is also evident in previously published Spitzer spectra of the nucleus of comet 9P/Tempel 1. We compare, in detail, these comet nucleus emission features to those seen in spectra of the Jovian Trojan D-types (624) Hektor, (911) Agamemnon, and (1172) Aneas, as well

Optical filter selection for high confidence discrimination of strongly overlapping infrared chemical spectra.

PubMed

Major, Kevin J; Poutous, Menelaos K; Ewing, Kenneth J; Dunnill, Kevin F; Sanghera, Jasbinder S; Aggarwal, Ishwar D

2015-09-01

Optical filter-based chemical sensing techniques provide a new avenue to develop low-cost infrared sensors. These methods utilize multiple infrared optical filters to selectively measure different response functions for various chemicals, dependent on each chemical's infrared absorption. Rather than identifying distinct spectral features, which can then be used to determine the identity of a target chemical, optical filter-based approaches rely on measuring differences in the ensemble response between a given filter set and specific chemicals of interest. Therefore, the results of such methods are highly dependent on the original optical filter choice, which will dictate the selectivity, sensitivity, and stability of any filter-based sensing method. Recently, a method has been developed that utilizes unique detection vector operations defined by optical multifilter responses, to discriminate between volatile chemical vapors. This method, comparative-discrimination spectral detection (CDSD), is a technique which employs broadband optical filters to selectively discriminate between chemicals with highly overlapping infrared absorption spectra. CDSD has been shown to correctly distinguish between similar chemicals in the carbon-hydrogen stretch region of the infrared absorption spectra from 2800-3100 cm(-1). A key challenge to this approach is how to determine which optical filter sets should be utilized to achieve the greatest discrimination between target chemicals. Previous studies used empirical approaches to select the optical filter set; however this is insufficient to determine the optimum selectivity between strongly overlapping chemical spectra. Here we present a numerical approach to systematically study the effects of filter positioning and bandwidth on a number of three-chemical systems. We describe how both the filter properties, as well as the chemicals in each set, affect the CDSD results and subsequent discrimination. These results demonstrate the

[Effect of the near infrared spectrum resolution on the nitrogen content model in green tea].

PubMed

Yang, Dan; Liu, Xin; Liu, Hong-Gang; Zhang, Ying-Bin; Yin, Peng

2013-07-01

The effect of different resolutions(2, 4, 6, 8, 16 cm(-1)) on the near infrared spectrogram and nitrogen content model for green tea was studied. Test results showed that instrument resolution could influence the spectra quality. The higher the resolution was, the richer the information would be, but the noise would increase. With lower resolution, spectrogram would be much more smooth, but get seriously distorted, and prediction accuracy would decrease at the same time. The partial least squares model was built after spectral pretreatment. When resolution was 4 cm(-1), the RMSEP value of external validation set was 0.054 6, which was obviously lower than others. The Corr. Coeff. was 0.998 2. Its prediction performance was the best and the prediction accuracy better. STDEV and RSD were 0.020 and 0.334 respectively. Resolution 4 cm(-1) for near infrared spectrometer collecting green tea samples was the optimal resolution. This research can provide a reference for parameters selection when collecting green tea spectra with near infrared spectrometer, improve the stability and prediction performance of the model and promote the application and promotion of the near infrared spectroscopy for tea.

High-Resolution Infrared Studies of Perdeutero-Spiropentane, C 5D 8

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

Erickson, Blake A.; Ju, X.; Nibler, Joseph W.

Perdeutero-spiropentane (C 5D 8) has been synthesized and infrared and Raman spectra are reported for the first time. Wavenumber assignments are made for most of the fundamental vibrational modes. Gas phase infrared spectra were recorded at a resolution (0.002 cm -1) sufficient to resolve individual rovibrational lines and show evidence of strong Coriolis and/or Fermi resonance interactions for most bands. However a detailed rovibrational analysis of the fundamental v 15 (b 2) parallel band proved possible and a fit of more than 1600 lines yielded a band origin of 1053.84465(10) cm -1 and ground state constants (in units of cmmore » -1): B 0 = 0.1120700(9), D J = 1.51(3) x10 -8, D JK = 3.42(15) x10 -8. We note that the B 0 value is significantly less than a value of Ba = 0.1140 cm-1 calculated using structural parameters from an earlier electron diffraction (ED) study, whereas one expects B a to be lower than B 0 because of thermal averaging over higher vibrational levels. A similar discrepancy was noted in an earlier study of C 5H 8 [1]. The structural and spectroscopic results are in good accord with values computed at the anharmonic level using the B3LYP density functional method with a cc-pVTZ basis set.« less

High-Resolution Infrared Imaging and Polarimetry plus Spectroscopy of Evolved Red and Yellow Supergiants

NASA Astrophysics Data System (ADS)

Gordon, Michael Scott; Humphreys, Roberta; Jones, Terry J.; Gehrz, Robert D.

2018-01-01

To what extent mass loss and periods of enhanced stellar outflow can influence the terminal state of the most massive stars remains an outstanding question in the fields of stellar physics, chemical enrichment of the Local Universe, andsupernova research. For my dissertation, I focus on characterizing the stellar ejecta around supergiants through a combination of observing techniques. Using the LBT, MMT, IRTF, VLT, and SOFIA observatories, I have performed high-resolution imaging, spectroscopy, and polarimetry—methods that provide us with keen insight on mass-loss histories and 3D morphology of the Local Group's most fascinating stars.Based on spectroscopic evidence for mass loss in the optical and the presence ofcircumstellar (CS) dust in infrared SEDs, we find that 30%–40% of observed yellow supergiants in M31 and M33 are likely in a post-RSG state. We also presentnear-IR spectra from IRTF/SPeX of optically-obscured RSGs in M33. These IR-bright sources likely have some of the highest mass-loss rates and are self-obscured in the optical by their own CS ejecta. For Galactic red supergiants (RSGs), we are able to observe the gas and CS dust ejecta both close in to the central star and at larger distances. The resulting radial profiles are valuable probes on timescale for the ejecta when combined with radiative-transfer models. We find evidence for both variable/high mass-loss events and constant mass loss over the last few thousand years. Finally, we discuss the use of high-resolution imaging polarimetry with VLT/NACO of two co-eval RSG clusters toward the Galactic center. The resulting polarized intensity images in the near-infrared provide unprecedented spatial and contrast resolution of the scattered light from extended nebular material.

High-resolution absorption measurements of NH3 at high temperatures: 2100-5500 cm-1

NASA Astrophysics Data System (ADS)

Barton, Emma J.; Yurchenko, Sergei N.; Tennyson, Jonathan; Clausen, Sønnik; Fateev, Alexander

2017-03-01

High-resolution absorption spectra of NH3 in the region 2100-5500 cm-1 at 1027 °C and approximately atmospheric pressure (1045±3 mbar) are measured. An NH3 concentration of 10% in volume fraction is used in the measurements. Spectra are recorded in a high-temperature gas-flow cell using a Fourier Transform Infrared (FTIR) spectrometer at a nominal resolution of 0.09 cm-1. The spectra are analysed by comparison to a variational line list, BYTe, and experimental energy levels determined using the MARVEL procedure. 2308 lines have been assigned to 45 different bands, of which 1755 and 15 have been assigned or observed for the first time in this work.

High Resolution Infrared Radiation Sounder (HIRS) for the Nimbus F Spacecraft

NASA Technical Reports Server (NTRS)

Koenig, E. W.

1975-01-01

Flown on Nimbus F in June 1975, the high resolution infrared radiation sounder (HIRS) scans with a geographical resolution of 23KM and samples radiance in seventeen selected spectral channels from visible (.7 micron) to far IR (15 micron). Vertical temperature profiles and atmospheric moisture content can be inferred from the output. System operation and test results are described.

High-Resolution Microwave and Infrared Molecular-Beam Studies of the Conformers of 1,1,2,2-Tetrafluoroethane

NASA Astrophysics Data System (ADS)

Stone, Stephen C.; Philips, Laura A.; Fraser, G. T.; Lovas, F. J.; Xu, Li-Hong; Sharpe, S. W.

1998-11-01

High-resolution microwave and infrared molecular-beam spectra have been measured for 1,1,2,2-tetrafluoroethane (HFC134). For the higher energy, polar,C2symmetry,gaucheconformer, microwave spectra have been recorded for the normal and mono-13C isotopomers and analyzed to determine a C-C bond length of 1.512(4) Å, in good agreement with a recentab initiovalue (MP2/6-31G**) of 1.515 Å [S. Papasavva, K. H. Illinger, and J. E. Kenny,J. Phys. Chem.100, 10100-10110 (1996)]. A tunable microwave-sideband CO2laser and electric-resonance optothermal spectrometer have been used to measure the infrared spectrum of the ν6, C-C stretch of thegaucheconformer near 906 cm-1. Microwave-infrared double resonance and precise ground state combination differences provided by the microwave measurements guide the assignment of the spectrum. The observation of ac-type spectrum definitively establishes that the upper state vibration is ofAsymmetry in theC2point group. The spectrum is fit to a Watson asymmetric-top Hamiltonian to a standard deviation of 0.24 MHz. A weak perturbation shifts the line positions for transitions nearJ = Kc= 20 by as much as 12 MHz. The identity of the perturber is unknown. Pulsed slit-jet diode-laser spectra have been recorded for the ν16vibration of theanticonformer near 1127 cm-1. Ana- andc-type hybrid band is observed, consistent with aBusymmetry mode. Previous low-resolution studies have attributed the 1127-cm-1mode to either aBuor anAusymmetry vibration. A total of 522 nonblended transitions were assigned and fit to determine ground and excited state constants. The ground state constants ofA= 5134.952(65) MHz,B= 3148.277(27) MHz, andC= 2067.106(43) MHz are the first experimental determinations of the rotational constants for this conformer. Here, typeAstandard uncertainties are given in the parentheses.

High resolution infrared acquisitions droning over the LUSI mud eruption.

NASA Astrophysics Data System (ADS)

Di Felice, Fabio; Romeo, Giovanni; Di Stefano, Giuseppe; Mazzini, Adriano

2016-04-01

The use of low-cost hand-held infrared (IR) thermal cameras based on uncooled micro-bolometer detector arrays became more widespread during the recent years. Thermal cameras have the ability to estimate temperature values without contact and therefore can be used in circumstances where objects are difficult or dangerous to reach such as volcanic eruptions. Since May 2006 the Indonesian LUSI mud eruption continues to spew boiling mud, water, aqueous vapor, CO2, CH4 and covers a surface of nearly 7 km2. At this locality we performed surveys over the unreachable erupting crater. In the framework of the LUSI Lab project (ERC grant n° 308126), in 2014 and 2015, we acquired high resolution infrared images using a specifically equipped remote-controlled drone flying at an altitude of m 100. The drone is equipped with GPS and an autopilot system that allows pre-programming the flying path or designing grids. The mounted thermal camera has peak spectral sensitivity in LW wavelength (μm 10) that is characterized by low water vapor and CO2 absorption. The low distance (high resolution) acquisitions have a temperature detail every cm 40, therefore it is possible to detect and observe physical phenomena such as thermodynamic behavior, hot mud and fluids emissions locations and their time shifts. Despite the harsh logistics and the continuously varying gas concentrations we managed to collect thermal images to estimate the crater zone spatial thermal variations. We applied atmosphere corrections to calculate infrared absorption by high concentration of water vapor. Thousands of images have been stitched together to obtain a mosaic of the crater zone. Regular monitoring with heat variation measurements collected, e.g. every six months, could give important information about the volcano activity estimating its evolution. A future data base of infrared high resolution and visible images stored in a web server could be a useful monitoring tool. An interesting development will be

Immersion Gratings for Infrared High-resolution Spectroscopy

NASA Astrophysics Data System (ADS)

Sarugaku, Yuki; Ikeda, Yuji; Kobayashi, Naoto; Kaji, Sayumi; Sukegawa, Takashi; Sugiyama, Shigeru; Nakagawa, Takao; Arasaki, Takayuki; Kondo, Sohei; Nakanishi, Kenshi; Yasui, Chikako; Kawakita, Hideyo

2016-10-01

High-resolution spectroscopy in the infrared wavelength range is essential for observations of minor isotopologues, such as HDO for water, and prebiotic organic molecules like hydrocarbons/P-bearing molecules because numerous vibrational molecular bands (including non-polar molecules) are located in this wavelength range. High spectral resolution enables us to detect weak lines without spectral line confusion. This technique has been widely used in planetary sciences, e.g., cometary coma (H2O, CO, and organic molecules), the martian atmosphere (CH4, CO2, H2O and HDO), and the upper atmosphere of gas giants (H3+ and organic molecules such as C2H6). Spectrographs with higher resolution (and higher sensitivity) still have a potential to provide a plenty of findings. However, because the size of spectrographs scales with the spectral resolution, it is difficult to realize it.Immersion grating (IG), which is a diffraction grating wherein the diffraction surface is immersed in a material with a high refractive index (n > 2), provides n times higher spectral resolution compared to a reflective grating of the same size. Because IG reduces the size of spectrograph to 1/n compared to the spectrograph with the same spectral resolution using a conventional reflective grating, it is widely acknowledged as a key optical device to realize compact spectrographs with high spectral resolution.Recently, we succeeded in fabricating a CdZnTe immersion grating with the theoretically predicted diffraction efficiency by machining process using an ultrahigh-precision five-axis processing machine developed by Canon Inc. Using the same technique, we completed a practical germanium (Ge) immersion grating with both a reflection coating on the grating surface and the an AR coating on the entrance surface. It is noteworthy that the wide wavelength range from 2 to 20 um can be covered by the two immersion gratings.In this paper, we present the performances and the applications of the immersion

IDEOS: Fitting Infrared Spectra from Dusty Galaxies

NASA Astrophysics Data System (ADS)

Viola, Vincent; Rupke, D.

2014-01-01

We fit models to heavily obscured infrared spectra taken by the Spitzer Space Telescope and prepare them for cataloguing in the Infrared Database of Extragalactic Observables from Spitzer (IDEOS). When completed, IDEOS will contain homogeneously measured mid-infrared spectroscopic observables of more than 4200 galaxies beyond the Local Group. The software we use, QUESTFit, models the spectra using up to three extincted blackbodies (including silicate, water ice, and hydrocarbon absorption) and PAH templates. We present results from a sample of the approximately 200 heavily obscured spectra that will be present in IDEOS.

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene

NASA Astrophysics Data System (ADS)

Mackie, Cameron J.; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L.; Buma, Wybren Jan; Lee, Timothy J.; Tielens, Alexander G. G. M.

2016-08-01

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2016-08-28

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

Spectral Assignments and Analysis of the Ground State of Nitromethane in High-Resolution FTIR Synchrotron Spectra

NASA Astrophysics Data System (ADS)

Twagirayezu, Sylvestre; Billinghurst, Brant E.; May, Tim E.; Dawadi, Mahesh B.; Perry, David S.

2014-06-01

The Fourier Transform infrared spectra of CH3NO2, have been recorded, in the 400-950 wn spectral region, at a resolution of 0.00096 wn, using the Far-Infrared Beamline at Canadian Light Source. The observed spectra contain four fundamental vibrations: the NO2 in-plane rock (475.2 wn), the NO2 out-of-plane rock (604.9 wn), the NO2 symmetric bend (657.1 wn), and the CN-stretch (917.2 wn). For the lowest torsional state of CN-stretch and NO2 in-plane rock, transitions involving quantum numbers, " = 0; " {≤ 50} and {_a}" {≤ 10}, have been assigned with the aid of an automated ground state combination difference program together with a traditional Loomis Wood approach Ground state combination differences derived from more than 2100 infrared transitions have been fit with the six-fold torsion-rotation program developed by Ilyushin et al. Additional sextic and octic centrifugal distortion parameters are derived for the ground vibrational state. C. F. Neese., An Interactive Loomis-Wood Package, V2.0, {56th},OSU Interanational Symposium on Molecular Spectroscopy (2001). V. V. Ilyushin, Z. Kisiel, L. Pszczolkowski, H. Mader, and J. T. Hougen, J. Mol. Spectrosc., 259, 26, (2010).

High resolution infrared datasets useful for validating stratospheric models

NASA Technical Reports Server (NTRS)

Rinsland, Curtis P.

1992-01-01

An important objective of the High Speed Research Program (HSRP) is to support research in the atmospheric sciences that will improve the basic understanding of the circulation and chemistry of the stratosphere and lead to an interim assessment of the impact of a projected fleet of High Speed Civil Transports (HSCT's) on the stratosphere. As part of this work, critical comparisons between models and existing high quality measurements are planned. These comparisons will be used to test the reliability of current atmospheric chemistry models. Two suitable sets of high resolution infrared measurements are discussed.

Very high resolution far infrared synchrotron radiation spectrum of methanol-D1 (CH2DOH) in the first three torsional-vibrational modes

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Indra; Billinghurst, B. E.

2016-11-01

In our effort to systematically study the far infrared (FIR) spectra of asymmetrically mono deuterated methanol (CH2DOH) and thereby obtain the transition wavenumbers with better and better accuracy (Mukhopadhyay, 2016a,b), the complete Fourier transform (FT) spectra from FIR to infrared (IR) vibrational bands (in the range 50-1190 cm-1) have been re-recorded using the Synchrotron Radiation Source at the Canadian Light Sources in Saskatchewan, Canada. The resolution of the spectrum is unprecedented, reaching beyond the Doppler limited resolution as low as about 0.0008 cm-1 with a signal to noise (S/N) ratio is many fold better than that can be obtained by commercially available FT spectrometer using thermal sources (e.g., Globar). Spectra were also recorded beyond 1190 cm-1 to about 5000 cm-1 at a somewhat lower resolution of 0.002-0.004 cm-1. In this report the analysis of the b-type and c-type torsional - rotational spectra in the ground vibrational state corresponding to gauche- (e1/o1) to gauche- (e1/o1) and gauche- (e1/o1) to trans- (e0) states in the ground vibrational state are reported and an atlas of the wavenumber for about 2500 FIR assigned absorption lines has been prepared. The transitions within a given sub-band are analyzed using state dependent expansion parameters and the Q-branch origins. The data from previous results (Mukhopadhyay, 2016a,b) along with the present work allowed a global analysis yielding a complete set of molecular parameters. The state dependent molecular parameters reproduce the experimental wavenumbers within experimental uncertainty. In addition, the sensitivity of the spectrum allowed observation of forbidden transitions previously unobserved and helped reassignment of rotational angular momentum quantum numbers of some ΔK = ±1, Q-branch transitions in highly excited states recently reported in the literature. To our knowledge the wavenumbers reported in the present work are the most accurate so far reported in the

High spatial resolution infrared camera as ISS external experiment

NASA Astrophysics Data System (ADS)

Eckehard, Lorenz; Frerker, Hap; Fitch, Robert Alan

High spatial resolution infrared camera as ISS external experiment for monitoring global climate changes uses ISS internal and external resources (eg. data storage). The optical experiment will consist of an infrared camera for monitoring global climate changes from the ISS. This technology was evaluated by the German small satellite mission BIRD and further developed in different ESA projects. Compared to BIRD the presended instrument uses proven sensor advanced technologies (ISS external) and ISS on board processing and storage capabili-ties (internal). The instrument will be equipped with a serial interfaces for TM/TC and several relay commands for the power supply. For data processing and storage a mass memory is re-quired. The access to actual attitude data is highly desired to produce geo referenced maps-if possible by an on board processing.

New Measurements of s-Process Enrichments in Planetary Nebulae from High-Resolution Near-Infrared Spectra

NASA Astrophysics Data System (ADS)

Dinerstein, Harriet L.; Karakas, Amanda; Sterling, Nicholas C.; Kaplan, Kyle

2017-06-01

We present preliminary results from a high-spectral resolution survey of near-infrared emission lines of neutron-capture elements in planetary nebulae using the Immersion Grating Infrared Spectrometer, IGRINS (Park et al. 2014, SPIE. 9147, 1), which spans the H- and K-bands at spectral resolving power R ≈ 45,000. Both the [Kr III] and [Se IV] lines identified by Dinerstein (2001, ApJL, 550, L223) are seen in nearly all of an initial sample of ≈ 15 nebulae, with improved accuracy over earlier studies based on lower-resolution data (Sterling & Dinerstein 2008, ApJS, 174, 158; Sterling, Porter, & Dinerstein 2015, ApJS, 218, 25). Several new detections of the [Rb IV], [Cd IV], and [Ge VI] lines identified by Sterling et al. (2016, ApJL, 819, 9), as well as a [Br V] line, were made. About half the objects in this sample descend from stars with [Fe/H] = -0.7 ± 0.2 dex, while the remainder have -0.3 ≤ [Fe/H] ≤ 0. We compare the measured enhancements of Se, Kr, Rb, and Cd with predictions of their production by slow-neutron captures (the s-process) during the AGB from theoretical evolutionary models for the corresponding metallicities and various initial masses. New nucleosynthesis calculations were carried out for [Fe/H] = -0.7 for initial masses between 1.1 and 3 M⊙ using the Monash stellar evolution and post-processing codes described in Karakas & Lugaro (2016, ApJ, 825, 26), which provides the nucleosynthesis predictions for the metal-rich end of our sample. The Monash models predict enrichments larger by factors of two or more than those from FRUITY (Cristallo et al. 2015, ApJS, 219, 40) and NuGRID (Pignatari et al. 2016, ApJS, 225, 24) models for the same masses and metallicities. We find that the Monash models are in substantially better agreement than the others with the abundances derived from the IGRINS observations.This work is based on data taken at the McDonald Observatory of the University of Texas at Austin. IGRINS was developed with support from

Effect of pressure on infrared spectra of ice 7

NASA Technical Reports Server (NTRS)

Holzapfel, W. B.; Seiler, B.; Nicol, M.

1983-01-01

The effect of pressure on the infrared spectra of H2O and D2O ice VII was studied at room temperature and pressures between 2 and 15 GPa with a Fourier transform infrared spectrometer and a diamond anvil high pressure cell. Two librational modes, one bending mode, and various overtone bands are well resolved. The stretching modes, nu sub 1 and nu sub 3 are poorly resolved due to overlap with diamond window absorption. Differences between the spectra of H2O and D2O are discussed.

High resolution infrared spectroscopy from space: A preliminary report on the results of the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment on Spacelab 3

NASA Technical Reports Server (NTRS)

Farmer, Crofton B.; Raper, Odell F.

1987-01-01

The ATMOS (Atmospheric Trace Molecule Spectroscopy) experiment has the broad purpose of investigating the physical structure, chemistry, and dynamics of the upper atmosphere through the study of the distributions of the neutral minor and trace constituents and their seasonal and long-term variations. The technique used is high-resolution infrared absorption spectroscopy using the Sun as the radiation source, observing the changes in the transmission of the atmosphere as the line-of-sight from the Sun to the spacecraft penetrates the atmosphere close to the Earth's limb at sunrise and sunset. During these periods, interferograms are generated at the rate of one each second which yield, when transformed, high resolution spectra covering the 2.2 to 16 micron region of the infrared. Twenty such occultations were recorded during the Spacelab 3 flight, which have produced concentration profiles for a large number of minor and trace upper atmospheric species in both the Northern and Southern Hemispheres. Several of these species have not previously been observed in spectroscopic data. The data reduction and analysis procedures used following the flight are discussed; a number of examples of the spectra obtained are shown, and a bar graph of the species detected thus far in the analysis is given which shows the altitude ranges for which concentration profiles were retrieved.

Analysis of fingerprints features of infrared spectra of various processed products of Rhizoma Coptidis and their different extracts

NASA Astrophysics Data System (ADS)

Xu, Beilei; Zhang, Guijun; Xu, Changhua; Sun, Suqin

2015-09-01

Fourier transform infrared spectroscopy (FT-IR) associated with second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2D-IR) are employed to analyze various processed products and different extracts of Rhizoma Coptidis. There is a shift of the peak of 1641 cm-1 of raw Rhizoma Coptidis after processed, which drifts to lower wave number. Peaks at 1508, 1387, 1363, 1332, 1274 and 1234 cm-1 barely change in most samples, except an obvious enhancement of these peaks after processed, suggesting that processed Rhizoma Coptidis may have higher content of berberine than raw material, which is corresponding to the results of correlation coefficients analysis. There are some differences in the absorption peaks in the range of 1800-1000 cm-1 in the SD-IR spectra, which have better resolution, of different processed products. 2D-IR spectra, which elevate the resolution further, can present more differences among the products in the range of 1300-800 cm-1 and 1800-1300 cm-1. Analysis of aqueous, ethanol and petroleum ether extracts of various processed products proves that there are distinctive differences of all auto-peaks in shapes and intensities in all of them. With the advantages of high resolution, high speed and convenience, FT-IR combined with 2D-IR can quickly and precisely distinguish various processed products of Rhizoma Coptidis and can be applied to predict the tendency of transformation of the complicated chemical mixture systems under heat perturbation.

Development of silicon grisms and immersion gratings for high-resolution infrared spectroscopy

NASA Astrophysics Data System (ADS)

Ge, Jian; McDavitt, Daniel L.; Bernecker, John L.; Miller, Shane; Ciarlo, Dino R.; Kuzmenko, Paul J.

2002-01-01

We report new results on silicon grism and immersion grating development using photolithography and anisotropic chemical etching techniques, which include process recipe finding, prototype grism fabrication, lab performance evaluation and initial scientific observations. The very high refractive index of silicon (n=3.4) enables much higher dispersion power for silicon-based gratings than conventional gratings, e.g. a silicon immersion grating can offer a factor of 3.4 times the dispersion of a conventional immersion grating. Good transmission in the infrared (IR) allows silicon-based gratings to operate in the broad IR wavelength regions (~1- 10 micrometers and far-IR), which make them attractive for both ground and space-based spectroscopic observations. Coarser gratings can be fabricated with these new techniques rather than conventional techniques, allowing observations at very high dispersion orders for larger simultaneous wavelength coverage. We have found new etching techniques for fabricating high quality silicon grisms with low wavefront distortion, low scattered light and high efficiency. Particularly, a new etching process using tetramethyl ammonium hydroxide (TMAH) is significantly simplifying the fabrication process on large, thick silicon substrates, while providing comparable grating quality to our traditional potassium hydroxide (KOH) process. This technique is being used for fabricating inch size silicon grisms for several IR instruments and is planned to be used for fabricating ~ 4 inch size silicon immersion gratings later. We have obtained complete K band spectra of a total of 6 T Tauri and Ae/Be stars and their close companions at a spectral resolution of R ~ 5000 using a silicon echelle grism with a 5 mm pupil diameter at the Lick 3m telescope. These results represent the first scientific observations conducted by the high-resolution silicon grisms, and demonstrate the extremely high dispersing power of silicon- based gratings. The future of

Intercomparison of three microwave/infrared high resolution line-by-line radiative transfer codes

NASA Astrophysics Data System (ADS)

Schreier, F.; Garcia, S. Gimeno; Milz, M.; Kottayil, A.; Höpfner, M.; von Clarmann, T.; Stiller, G.

2013-05-01

An intercomparison of three line-by-line (lbl) codes developed independently for atmospheric sounding - ARTS, GARLIC, and KOPRA - has been performed for a thermal infrared nadir sounding application assuming a HIRS-like (High resolution Infrared Radiation Sounder) setup. Radiances for the HIRS infrared channels and a set of 42 atmospheric profiles from the "Garand dataset" have been computed. Results of this intercomparison and a discussion of reasons of the observed differences are presented.

500 days of SN 2013dy: spectra and photometry from the ultraviolet to the infrared

NASA Astrophysics Data System (ADS)

Pan, Y.-C.; Foley, R. J.; Kromer, M.; Fox, O. D.; Zheng, W.; Challis, P.; Clubb, K. I.; Filippenko, A. V.; Folatelli, G.; Graham, M. L.; Hillebrandt, W.; Kirshner, R. P.; Lee, W. H.; Pakmor, R.; Patat, F.; Phillips, M. M.; Pignata, G.; Röpke, F.; Seitenzahl, I.; Silverman, J. M.; Simon, J. D.; Sternberg, A.; Stritzinger, M. D.; Taubenberger, S.; Vinko, J.; Wheeler, J. C.

2015-10-01

SN 2013dy is a Type Ia supernova (SN Ia) for which we have compiled an extraordinary data set spanning from 0.1 to ˜ 500 d after explosion. We present 10 epochs of ultraviolet (UV) through near-infrared (NIR) spectra with Hubble Space Telescope/Space Telescope Imaging Spectrograph, 47 epochs of optical spectra (15 of them having high resolution), and more than 500 photometric observations in the BVrRiIZYJH bands. SN 2013dy has a broad and slowly declining light curve (Δm15(B) = 0.92 mag), shallow Si II λ 6355 absorption, and a low velocity gradient. We detect strong C II in our earliest spectra, probing unburned progenitor material in the outermost layers of the SN ejecta, but this feature fades within a few days. The UV continuum of SN 2013dy, which is strongly affected by the metal abundance of the progenitor star, suggests that SN 2013dy had a relatively high-metallicity progenitor. Examining one of the largest single set of high-resolution spectra for an SN Ia, we find no evidence of variable absorption from circumstellar material. Combining our UV spectra, NIR photometry, and high-cadence optical photometry, we construct a bolometric light curve, showing that SN 2013dy had a maximum luminosity of 10.0^{+4.8}_{-3.8} × 10^{42} erg s-1. We compare the synthetic light curves and spectra of several models to SN 2013dy, finding that SN 2013dy is in good agreement with a solar-metallicity W7 model.

Information content in Iris spectra. [Infrared Interferometer Spectrometer of Nimbus 4 satellite

NASA Technical Reports Server (NTRS)

Price, J. C.

1975-01-01

Spectra from the satellite instrument Iris (infrared interferometer spectrometer) were examined to find the number of independent variables needed to describe the broad-band high-resolution spectral data. The radiated power in the atmospheric window from 771 to 981 per cm was the first parameter chosen for fitting observed spectra. At succeeding levels of analysis, the residual variability (observed spectrum minus best-fit spectrum) in an ensemble of observations was partitioned into spectral eigenvectors. The eigenvector describing the largest fraction of this variability was examined for a strong spectral signature; the power in the corresponding spectral band was then used as the next fitting parameter. The measured power in nine spectral intervals, when it was inserted in the spectral-fitting functions, was adequate to describe most spectra to within the noise level of Iris. Considerations of relative signal strength and scales of atmospheric variability suggest a combination sounder (multichannel, broad field of view) scanner (window channel, small field of view) as an efficient observing instrument.

High-Resolution Near-Infrared Spectroscopy of FU Orionis Objects

NASA Astrophysics Data System (ADS)

Hartmann, Lee; Hinkle, Kenneth; Calvet, Nuria

2004-07-01

We present an analysis of recent near-infrared, high-resolution spectra of the variable FU Ori objects. During a phase of rapid fading in optical brightness during 1997, V1057 Cyg exhibited shell absorption in first-overtone (v''-v'=2-0) CO lines, blueshifted by about 50 km s-1 from the system velocity. This shell component had not been seen previously, nor was it present in 1999, although some blueshifted absorption asymmetry is seen at the latter epoch. The appearance of this CO absorption shell is connected with the roughly contemporaneous appearance of blueshifted, low-excitation optical absorption lines with comparable low velocities; we suggest that this shell was also responsible for some of the peculiar emission features seen in red-optical spectra of V1057 Cyg. FU Ori continues to exhibit broad CO lines, with some evidence for the double-peaked profiles characteristic of an accretion disk; the line profiles are consistent with previous observations. Both FU Ori and V1057 Cyg continue to exhibit lower rotational broadening at 2.3 μm than at optical wavelengths, in agreement with the prediction of differentially rotating disk models; we have a marginal detection of the same effect in V1515 Cyg. The relative population of the first-overtone CO rotational levels in the FU Ori objects suggests low excitation temperatures. We compare disk models to the observations and find agreement with overall line strengths and rotational broadening, but the observed line profiles are generally less double-peaked than predicted. We suggest that the discrepancy in line profiles is due to turbulent motions in FU Ori disks, an effect qualitatively predicted by recent simulations of the magnetorotational instability in vertically stratified accretion disks. Based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy (AURA), Inc., under a cooperative agreement with the NSF, on behalf of the Gemini

High-resolution spectra of comet C/2013 R1 (Lovejoy)

NASA Astrophysics Data System (ADS)

Rousselot, P.; Decock, A.; Korsun, P. P.; Jehin, E.; Kulyk, I.; Manfroid, J.; Hutsemékers, D.

2015-08-01

Context. High-resolution spectra of comets permit deriving the physical properties of the coma. In the optical range, relative production rates can be computed, and information about isotopic ratios and the origin of oxygen atoms can be obtained. Aims: The main objective of the work presented here was to obtain information about the chemical composition of comet C/2013 R1 (Lovejoy), a bright and long-period comet that passed perihelion (0.81 au) on 22 December 2013. Methods: We used the HARPS-North echelle spectrograph at the 3.5 m telescope TNG to obtain high-resolution spectra of comet C/2013 R1 (Lovejoy) in the optical range immediately after its perihelion passage during four consecutive nights in the period December 23 to 26, 2013. Results: Our results demonstrate the ability of HARPS-North to efficiently obtain cometary spectra. Very faint emission lines, such as those of 15NH2, have been detected, leading to a rough estimate of the 14N/15N ratio in NH2. The 12C/13C ratio was measured in the C2 lines and is equal to 80 ± 30. The oxygen lines were studied as well (green to red line intensity ratios and widths), confirming that H2O is the main parent molecule that photodissociates to produce oxygen atoms. This suggests that this comet has a high CO2 abundance. Relative production rates for C2 and NH2 were computed, but we found no significant deviation from a typical NH2/C2 ratio. Based on observations made with the Italian Telescopio Nazionale Galileo (TNG) operated on the island of La Palma by the Fundación Galileo Galilei of the INAF (Istituto Nazionale di Astrofisica) at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias.

The CARMENES search for exoplanets around M dwarfs. High-resolution optical and near-infrared spectroscopy of 324 survey stars

NASA Astrophysics Data System (ADS)

Reiners, A.; Zechmeister, M.; Caballero, J. A.; Ribas, I.; Morales, J. C.; Jeffers, S. V.; Schöfer, P.; Tal-Or, L.; Quirrenbach, A.; Amado, P. J.; Kaminski, A.; Seifert, W.; Abril, M.; Aceituno, J.; Alonso-Floriano, F. J.; Ammler-von Eiff, M.; Antona, R.; Anglada-Escudé, G.; Anwand-Heerwart, H.; Arroyo-Torres, B.; Azzaro, M.; Baroch, D.; Barrado, D.; Bauer, F. F.; Becerril, S.; Béjar, V. J. S.; Benítez, D.; Berdinas˜, Z. M.; Bergond, G.; Blümcke, M.; Brinkmöller, M.; del Burgo, C.; Cano, J.; Cárdenas Vázquez, M. C.; Casal, E.; Cifuentes, C.; Claret, A.; Colomé, J.; Cortés-Contreras, M.; Czesla, S.; Díez-Alonso, E.; Dreizler, S.; Feiz, C.; Fernández, M.; Ferro, I. M.; Fuhrmeister, B.; Galadí-Enríquez, D.; Garcia-Piquer, A.; García Vargas, M. L.; Gesa, L.; Galera, V. Gómez; González Hernández, J. I.; González-Peinado, R.; Grözinger, U.; Grohnert, S.; Guàrdia, J.; Guenther, E. W.; Guijarro, A.; Guindos, E. de; Gutiérrez-Soto, J.; Hagen, H.-J.; Hatzes, A. P.; Hauschildt, P. H.; Hedrosa, R. P.; Helmling, J.; Henning, Th.; Hermelo, I.; Hernández Arabí, R.; Hernández Castaño, L.; Hernández Hernando, F.; Herrero, E.; Huber, A.; Huke, P.; Johnson, E. N.; Juan, E. de; Kim, M.; Klein, R.; Klüter, J.; Klutsch, A.; Kürster, M.; Lafarga, M.; Lamert, A.; Lampón, M.; Lara, L. M.; Laun, W.; Lemke, U.; Lenzen, R.; Launhardt, R.; López del Fresno, M.; López-González, J.; López-Puertas, M.; López Salas, J. F.; López-Santiago, J.; Luque, R.; Magán Madinabeitia, H.; Mall, U.; Mancini, L.; Mandel, H.; Marfil, E.; Marín Molina, J. A.; Maroto Fernández, D.; Martín, E. L.; Martín-Ruiz, S.; Marvin, C. J.; Mathar, R. J.; Mirabet, E.; Montes, D.; Moreno-Raya, M. E.; Moya, A.; Mundt, R.; Nagel, E.; Naranjo, V.; Nortmann, L.; Nowak, G.; Ofir, A.; Oreiro, R.; Pallé, E.; Panduro, J.; Pascual, J.; Passegger, V. M.; Pavlov, A.; Pedraz, S.; Pérez-Calpena, A.; Medialdea, D. Pérez; Perger, M.; Perryman, M. A. C.; Pluto, M.; Rabaza, O.; Ramón, A.; Rebolo, R.; Redondo, P.; Reffert, S.; Reinhart, S.; Rhode, P.; Rix, H.-W.; Rodler, F.; Rodríguez, E.; Rodríguez-López, C.; Rodríguez Trinidad, A.; Rohloff, R.-R.; Rosich, A.; Sadegi, S.; Sánchez-Blanco, E.; Sánchez Carrasco, M. A.; Sánchez-López, A.; Sanz-Forcada, J.; Sarkis, P.; Sarmiento, L. F.; Schäfer, S.; Schmitt, J. H. M. M.; Schiller, J.; Schweitzer, A.; Solano, E.; Stahl, O.; Strachan, J. B. P.; Stürmer, J.; Suárez, J. C.; Tabernero, H. M.; Tala, M.; Trifonov, T.; Tulloch, S. M.; Ulbrich, R. G.; Veredas, G.; Vico Linares, J. I.; Vilardell, F.; Wagner, K.; Winkler, J.; Wolthoff, V.; Xu, W.; Yan, F.; Zapatero Osorio, M. R.

2018-04-01

The CARMENES radial velocity (RV) survey is observing 324 M dwarfs to search for any orbiting planets. In this paper, we present the survey sample by publishing one CARMENES spectrum for each M dwarf. These spectra cover the wavelength range 520-1710 nm at a resolution of at least R >80 000, and we measure its RV, Hα emission, and projected rotation velocity. We present an atlas of high-resolution M-dwarf spectra and compare the spectra to atmospheric models. To quantify the RV precision that can be achieved in low-mass stars over the CARMENES wavelength range, we analyze our empirical information on the RV precision from more than 6500 observations. We compare our high-resolution M-dwarf spectra to atmospheric models where we determine the spectroscopic RV information content, Q, and signal-to-noise ratio. We find that for all M-type dwarfs, the highest RV precision can be reached in the wavelength range 700-900 nm. Observations at longer wavelengths are equally precise only at the very latest spectral types (M8 and M9). We demonstrate that in this spectroscopic range, the large amount of absorption features compensates for the intrinsic faintness of an M7 star. To reach an RV precision of 1 m s-1 in very low mass M dwarfs at longer wavelengths likely requires the use of a 10 m class telescope. For spectral types M6 and earlier, the combination of a red visual and a near-infrared spectrograph is ideal to search for low-mass planets and to distinguish between planets and stellar variability. At a 4 m class telescope, an instrument like CARMENES has the potential to push the RV precision well below the typical jitter level of 3-4 m s-1.

Analytic calculations of anharmonic infrared and Raman vibrational spectra

PubMed Central

Louant, Orian; Ruud, Kenneth

2016-01-01

Using a recently developed recursive scheme for the calculation of high-order geometric derivatives of frequency-dependent molecular properties [Ringholm et al., J. Comp. Chem., 2014, 35, 622], we present the first analytic calculations of anharmonic infrared (IR) and Raman spectra including anharmonicity both in the vibrational frequencies and in the IR and Raman intensities. In the case of anharmonic corrections to the Raman intensities, this involves the calculation of fifth-order energy derivatives—that is, the third-order geometric derivatives of the frequency-dependent polarizability. The approach is applicable to both Hartree–Fock and Kohn–Sham density functional theory. Using generalized vibrational perturbation theory to second order, we have calculated the anharmonic infrared and Raman spectra of the non- and partially deuterated isotopomers of nitromethane, where the inclusion of anharmonic effects introduces combination and overtone bands that are observed in the experimental spectra. For the major features of the spectra, the inclusion of anharmonicities in the calculation of the vibrational frequencies is more important than anharmonic effects in the calculated infrared and Raman intensities. Using methanimine as a trial system, we demonstrate that the analytic approach avoids errors in the calculated spectra that may arise if numerical differentiation schemes are used. PMID:26784673

A high-resolution atlas of composite Sloan Digital Sky Survey galaxy spectra

NASA Astrophysics Data System (ADS)

Dobos, László; Csabai, István.; Yip, Ching-Wa; Budavári, Tamás.; Wild, Vivienne; Szalay, Alexander S.

2012-02-01

In this work we present an atlas of composite spectra of galaxies based on the data of the Sloan Digital Sky Survey Data Release 7 (SDSS DR7). Galaxies are classified by colour, nuclear activity and star formation activity to calculate average spectra of high signal-to-noise ratio (S/N) and resolution (? at Δλ= 1 Å), using an algorithm that is robust against outliers. Besides composite spectra, we also compute the first five principal components of the distributions in each galaxy class to characterize the nature of variations of individual spectra around the averages. The continua of the composite spectra are fitted with BC03 stellar population synthesis models to extend the wavelength coverage beyond the coverage of the SDSS spectrographs. Common derived parameters of the composites are also calculated: integrated colours in the most popular filter systems, line-strength measurements and continuum absorption indices (including Lick indices). These derived parameters are compared with the distributions of parameters of individual galaxies, and it is shown on many examples that the composites of the atlas cover much of the parameter space spanned by SDSS galaxies. By co-adding thousands of spectra, a total integration time of several months can be reached, which results in extremely low noise composites. The variations in redshift not only allow for extending the spectral coverage bluewards to the original wavelength limit of the SDSS spectrographs, but also make higher spectral resolution achievable. The composite spectrum atlas is available online at .

Untangling the Herman-infrared spectra of nitrogen atmospheric-pressure dielectric-barrier discharge

NASA Astrophysics Data System (ADS)

Čermák, Peter; Annušová, Adriana; Rakovský, Jozef; Martišovitš, Viktor; Veis, Pavel

2018-05-01

This study presents the first application of the N2 Herman-infrared (HIR) ro-vibrational model for the metrology of the atmospheric-pressure dielectric-barrier discharge. Our recent findings of suitable conditions for observation of the unperturbed HIR system (Annušová et al Contrib. Plasma Phys. 2017) gave us the opportunity to develop and test a numerical representation of this complex system composed of 75 branches. Commonly, the HIR covers a part of the near infrared spectra (690–850 nm) with its bands mixed with the N2 first positive system (1PS), which hinders applications of these systems for optical metrology of the discharge. In this work, we present a complex ro-vibrational model of the 1PS and HIR systems, which allowed us to untangle their spectra and retrieve the rotational temperature and vibrational populations of the systems for the first time. The latter was achieved by coupling the PGHOPHER simulation package with molecular constants obtained from high-resolution experiments. To test the model, the results and precision were compared to the retrievals based on the models of the NO γ and N2 second positive systems using the LIFBASE and SPECAIR programs, respectively.

Line Identifications and Preliminary Synthesis of High-resolution Infrared Spectra of CP and Herbig Ae Stars

NASA Astrophysics Data System (ADS)

Cowley, Charles R.; Castelli, F.; Hubrig, S.; Wolff, B.; Elkin, V.

2012-01-01

We report on surveys of infrared spectra of chemically peculiar and Herbig Ae stars based on CRIRES (Kaufl, et al. SPIE, 5492, 1218 2004). We discuss the magnetic CP stars Gamma Equ and HD 154708, and multiple-phase observations of the Herbig Ae star HD 101412. The Be star HR 4537 and HgMn HR 6620 were also examined. The primary emphasis of the present work is on line identifications primarily in four regions, 1065-1091, 1084-1109,1550-1587, and 2276-2313nm (with order gaps). Observations were reduced with recipes available from the ESO CRIRES data reduction pipeline. Wavelength calibration is determined from daytime ThAr arc lamp exposures. Generally speaking, this is not rich in atomic lines. The strongest features are the Paschen line P6 (1093.81nm), and He I (108.30nm). The latter shows phase variations indicative of a more complex magnetic field than that of a pure dipole. No individual molecular lines were found in these early stars, though CO emission from circumstellar material is likely present in HR 4537 and HD 101412. We used atomic line lists from Kurucz's site (kurucz.harvard.edu) and VALD (http://vald.astro.univie.ac.at/ cf. Kupka et al. 1999, A&AS, 138, 119), supplemented by Outred (J. Phys. Chem. Ref. Data 7, 1, 1978). The following spectra were identified in Gamma Equ: C I, Si I, Ca I, Mg I, II, Cr I, Fe I, Sr II, and Ce III (1584.75nm). The Ap star spectra show broad Zeeman patterns compatible with published models and field strengths. Synthetic calculations used SYNTHE and SYNTHMAG (Piskunov N. E., 1999, in Astrophys. Space Sci. Library Vol. 243, Solar polarization. Kluwer, p 515). The γ Equ model is from Heiter et al. (2002, A&A, 392, 619). and the line list from VALD.

Empirical Measurement and Model Validation of Infrared Spectra of Contaminated Surfaces

NASA Astrophysics Data System (ADS)

Archer, Sean

The goal of this thesis was to validate predicted infrared spectra of liquid contaminated surfaces from a micro-scale bi-directional reflectance distribution function (BRDF) model through the use of empirical measurement. Liquid contaminated surfaces generally require more sophisticated radiometric modeling to numerically describe surface properties. The Digital Image and Remote Sensing Image Generation (DIRSIG) model utilizes radiative transfer modeling to generate synthetic imagery for a variety of applications. Aside from DIRSIG, a micro-scale model known as microDIRSIG has been developed as a rigorous ray tracing physics-based model that could predict the BRDF of geometric surfaces that are defined as micron to millimeter resolution facets. The model offers an extension from the conventional BRDF models by allowing contaminants to be added as geometric objects to a micro-facet surface. This model was validated through the use of Fourier transform infrared spectrometer measurements. A total of 18 different substrate and contaminant combinations were measured and compared against modeled outputs. The substrates used in this experiment were wood and aluminum that contained three different paint finishes. The paint finishes included no paint, Krylon ultra-flat black, and Krylon glossy black. A silicon based oil (SF96) was measured out and applied to each surface to create three different contamination cases for each surface. Radiance in the longwave infrared region of the electromagnetic spectrum was measured by a Design and Prototypes (D&P) Fourier transform infrared spectrometer and a Physical Sciences Inc. Adaptive Infrared Imaging Spectroradiometer (AIRIS). The model outputs were compared against the measurements quantitatively in both the emissivity and radiance domains. A temperature emissivity separation (TES) algorithm had to be applied to the measured radiance spectra for comparison with the microDIRSIG predicted emissivity spectra. The model predicted

Profiles of Stratospheric Chlorine Nitrate from ATMOS/ATLAS 1 Infrared Solar Occultation Spectra

NASA Technical Reports Server (NTRS)

Rinsland, C. P.; Gunson, M. R.; Abrams, M. C.; Zander, R.; Mahieu, E.; Goldman, A.; Ko, M. K. W.; Rodriguez, J. M.; Sze, N. D.

1994-01-01

Stratospheric volume mixing ration profiles of chlorine nitrate have been retrieved from 0.01-cm(sub -1) resolution infrared solar occutation spectra recorded at latitudes between 14 degrees N and 54 degrees S by the Atmospheric Trace Molecule Spectroscopy (ATMOS) Fourier transform spectrometer during the ATLAS 1 shuttle mission (March 24 to April 2, 1992).

Spectral Irradiance Calibration in the Infrared. Part 7; New Composite Spectra, Comparison with Model Atmospheres, and Far-Infrared Extrapolations

NASA Technical Reports Server (NTRS)

Cohen, Martin; Witteborn, Fred C.; Carbon, Duane F.; Davies, John K.; Wooden, Diane H.; Bregman, Jesse D.

1996-01-01

We present five new absolutely calibrated continuous stellar spectra constructed as far as possible from spectral fragments observed from the ground, the Kuiper Airborne Observatory (KAO), and the IRAS Low Resolution Spectrometer. These stars-alpha Boo, gamma Dra, alpha Cet, gamma Cru, and mu UMa-augment our six, published, absolutely calibrated spectra of K and early-M giants. All spectra have a common calibration pedigree. A revised composite for alpha Boo has been constructed from higher quality spectral fragments than our previously published one. The spectrum of gamma Dra was created in direct response to the needs of instruments aboard the Infrared Space Observatory (ISO); this star's location near the north ecliptic pole renders it highly visible throughout the mission. We compare all our low-resolution composite spectra with Kurucz model atmospheres and find good agreement in shape, with the obvious exception of the SiO fundamental, still lacking in current grids of model atmospheres. The CO fundamental seems slightly too deep in these models, but this could reflect our use of generic models with solar metal abundances rather than models specific to the metallicities of the individual stars. Angular diameters derived from these spectra and models are in excellent agreement with the best observed diameters. The ratio of our adopted Sirius and Vega models is vindicated by spectral observations. We compare IRAS fluxes predicted from our cool stellar spectra with those observed and conclude that, at 12 and 25 microns, flux densities measured by IRAS should be revised downwards by about 4.1% and 5.7%, respectively, for consistency with our absolute calibration. We have provided extrapolated continuum versions of these spectra to 300 microns, in direct support of ISO (PHT and LWS instruments). These spectra are consistent with IRAS flux densities at 60 and 100 microns.

Adjusting Spectral Indices for Spectral Response Function Differences of Very High Spatial Resolution Sensors Simulated from Field Spectra

PubMed Central

Cundill, Sharon L.; van der Werff, Harald M. A.; van der Meijde, Mark

2015-01-01

The use of data from multiple sensors is often required to ensure data coverage and continuity, but differences in the spectral characteristics of sensors result in spectral index values being different. This study investigates spectral response function effects on 48 spectral indices for cultivated grasslands using simulated data of 10 very high spatial resolution sensors, convolved from field reflectance spectra of a grass covered dike (with varying vegetation condition). Index values for 48 indices were calculated for original narrow-band spectra and convolved data sets, and then compared. The indices Difference Vegetation Index (DVI), Global Environmental Monitoring Index (GEMI), Enhanced Vegetation Index (EVI), Modified Soil-Adjusted Vegetation Index (MSAVI2) and Soil-Adjusted Vegetation Index (SAVI), which include the difference between the near-infrared and red bands, have values most similar to those of the original spectra across all 10 sensors (1:1 line mean 1:1R2 > 0.960 and linear trend mean ccR2 > 0.997). Additionally, relationships between the indices’ values and two quality indicators for grass covered dikes were compared to those of the original spectra. For the soil moisture indicator, indices that ratio bands performed better across sensors than those that difference bands, while for the dike cover quality indicator, both the choice of bands and their formulation are important. PMID:25781511

High resolution and deep tissue imaging using a near infrared acoustic resolution photoacoustic microscopy

NASA Astrophysics Data System (ADS)

Moothanchery, Mohesh; Sharma, Arunima; Periyasamy, Vijitha; Pramanik, Manojit

2018-02-01

It is always a great challenge for pure optical techniques to maintain good resolution and imaging depth at the same time. Photoacoustic imaging is an emerging technique which can overcome the limitation by pulsed light illumination and acoustic detection. Here, we report a Near Infrared Acoustic-Resolution Photoacoustic Microscopy (NIR-AR-PAM) systm with 30 MHz transducer and 1064 nm illumination which can achieve a lateral resolution of around 88 μm and imaging depth of 9.2 mm. Compared to visible light NIR beam can penetrate deeper in biological tissue due to weaker optical attenuation. In this work, we also demonstrated the in vivo imaging capabilty of NIRARPAM by near infrared detection of SLN with black ink as exogenous photoacoustic contrast agent in a rodent model.

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

High Resolution Temperature Measurement of Liquid Stainless Steel Using Hyperspectral Imaging

PubMed Central

Devesse, Wim; De Baere, Dieter; Guillaume, Patrick

2017-01-01

A contactless temperature measurement system is presented based on a hyperspectral line camera that captures the spectra in the visible and near infrared (VNIR) region of a large set of closely spaced points. The measured spectra are used in a nonlinear least squares optimization routine to calculate a one-dimensional temperature profile with high spatial resolution. Measurements of a liquid melt pool of AISI 316L stainless steel show that the system is able to determine the absolute temperatures with an accuracy of 10%. The measurements are made with a spatial resolution of 12 µm/pixel, justifying its use in applications where high temperature measurements with high spatial detail are desired, such as in the laser material processing and additive manufacturing fields. PMID:28067764

Infrared spectra of some acetone—magnesium adducts

NASA Astrophysics Data System (ADS)

Hisatsune, I. C.

Co-deposition of atomic magnesium with excess acetone at liquid-nitrogen temperature produces an unstable charge-transfer complex with a characteristic carbonyl infrared band at 1595 cm -1 and stable acetone adducts in which the metal atom bridges the carbonyl bond (π-complex) or coordinates to the oxygen atom (σ-complex). Infrared spectra of these complexes with (CH 3) 2CO and (CD 3) 2CO have been obtained. Corroborations for these adducts were obtained from infrared studies of acetone matrices with atomic copper and acetaldehyde matrices with atomic magnesium and with atomic copper. Infrared spectra of an acetone adduct and a dimethyl ether adduct of the Grignard reagent CH 3MgI have also been obtained. Hydrolysis of a σ-adduct gives acetone but isopropyl alcohol is obtained from hydrolysis of the π-adduct.

New Fe i Level Energies and Line Identifications from Stellar Spectra. II. Initial Results from New Ultraviolet Spectra of Metal-poor Stars

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

Peterson, Ruth C.; Kurucz, Robert L.; Ayres, Thomas R., E-mail: peterson@ucolick.org

2017-04-01

The Fe i spectrum is critical to many areas of astrophysics, yet many of the high-lying levels remain uncharacterized. To remedy this deficiency, Peterson and Kurucz identified Fe i lines in archival ultraviolet and optical spectra of metal-poor stars, whose warm temperatures favor moderate Fe i excitation. Sixty-five new levels were recovered, with 1500 detectable lines, including several bound levels in the ionization continuum of Fe i. Here, we extend the previous work by identifying 59 additional levels, with 1400 detectable lines, by incorporating new high-resolution UV spectra of warm metal-poor stars recently obtained by the Hubble Space Telescope Imagingmore » Spectrograph. We provide gf values for these transitions, both computed as well as adjusted to fit the stellar spectra. We also expand our spectral calculations to the infrared, confirming three levels by matching high-quality spectra of the Sun and two cool stars in the H -band. The predicted gf values suggest that an additional 3700 Fe i lines should be detectable in existing solar infrared spectra. Extending the empirical line identification work to the infrared would help confirm additional Fe i levels, as would new high-resolution UV spectra of metal-poor turnoff stars below 1900 Å.« less

New Fe I Level Energies and Line Identifications from Stellar Spectra. II. Initial Results from New Ultraviolet Spectra of Metal-poor Stars

NASA Astrophysics Data System (ADS)

Peterson, Ruth C.; Kurucz, Robert L.; Ayres, Thomas R.

2017-04-01

The Fe I spectrum is critical to many areas of astrophysics, yet many of the high-lying levels remain uncharacterized. To remedy this deficiency, Peterson & Kurucz identified Fe I lines in archival ultraviolet and optical spectra of metal-poor stars, whose warm temperatures favor moderate Fe I excitation. Sixty-five new levels were recovered, with 1500 detectable lines, including several bound levels in the ionization continuum of Fe I. Here, we extend the previous work by identifying 59 additional levels, with 1400 detectable lines, by incorporating new high-resolution UV spectra of warm metal-poor stars recently obtained by the Hubble Space Telescope Imaging Spectrograph. We provide gf values for these transitions, both computed as well as adjusted to fit the stellar spectra. We also expand our spectral calculations to the infrared, confirming three levels by matching high-quality spectra of the Sun and two cool stars in the H-band. The predicted gf values suggest that an additional 3700 Fe I lines should be detectable in existing solar infrared spectra. Extending the empirical line identification work to the infrared would help confirm additional Fe I levels, as would new high-resolution UV spectra of metal-poor turnoff stars below 1900 Å.

Analysis of X-ray Spectra of High-Z Elements obtained on Nike with high spectral and spatial resolution

NASA Astrophysics Data System (ADS)

Aglitskiy, Yefim; Weaver, J. L.; Karasik, M.; Serlin, V.; Obenschain, S. P.; Ralchenko, Yu.

2014-10-01

The spectra of multi-charged ions of Hf, Ta, W, Pt, Au and Bi have been studied on Nike krypton-fluoride laser facility with the help of two kinds of X-ray spectrometers. First, survey instrument covering a spectral range from 0.5 to 19.5 angstroms which allows simultaneous observation of both M- and N- spectra of above mentioned elements with high spectral resolution. Second, an imaging spectrometer with interchangeable spherically bent Quartz crystals that added higher efficiency, higher spectral resolution and high spatial resolution to the qualities of the former one. Multiple spectral lines with X-ray energies as high as 4 keV that belong to the isoelectronic sequences of Fe, Co, Ni, Cu and Zn were identified with the help of NOMAD package developed by Dr. Yu. Ralchenko and colleagues. In our continuous effort to support DOE-NNSA's inertial fusion program, this campaign covered a wide range of plasma conditions that result in production of relatively energetic X-rays. Work supported by the US DOE/NNSA.

High Resolution Spectra of Carbon Monoxide, Propane and Ammonia for Atmospheric Remote Sensing

NASA Astrophysics Data System (ADS)

Beale, Christopher Andrew

Spectroscopy is a critical tool for analyzing atmospheric data. Identification of atmospheric parameters such as temperature, pressure and the existence and concentrations of constituent gases via remote sensing techniques are only possible with spectroscopic data. These form the basis of model atmospheres which may be compared to observations to determine such parameters. To this end, this dissertation explores the spectroscopy of three molecules: ammonia, propane and carbon monoxide. Infrared spectra have been recorded for ammonia in the region 2400-9000 cm-1. These spectra were recorded at elevated temperatures (from 293-973 K) using a Fourier Transform Spectrometer (FTS). Comparison between the spectra recorded at different temperatures yielded experimental lower state energies. These spectra resulted in the measurement of roughly 30000 lines and about 3000 quantum assignments. In addition spectra of propane were recorded at elevated temperatures (296-700 K) using an FTS. Atmospheres with high temperatures require molecular data at appropriate conditions. This dissertation describes collection of such data and the potential application to atmospheres in our solar system, such as auroral regions in Jupiter, to those of planets orbiting around other stars and cool sub-stellar objects known as brown dwarfs. The spectra of propane and ammonia provide the highest resolution and most complete experimental study of these gases in their respective spectral regions at elevated temperatures. Detection of ammonia in an exoplanet or detection of propane in the atmosphere of Jupiter will most likely rely on the work presented here. The best laboratory that we have to study atmospheres is our own planet. The same techniques that are applied to these alien atmospheres originated on Earth. As such it is appropriate to discuss remote sensing of our own atmosphere. This idea is explored through analysis of spectroscopic data recorded by an FTS on the Atmospheric Chemistry

Visible/near-infrared spectra of experimentally shocked plagioclase feldspars

USGS Publications Warehouse

Johnson, J. R.; Horz, F.

2003-01-01

High shock pressures cause structural changes in plagioclase feldspars such as mechanical fracturing and disaggregation of the crystal lattice at submicron scales, the formation of diaplectic glass (maskelynite), and genuine melting. Past studies of visible/ near-infrared spectra of shocked feldspars demonstrated few spectral variations with pressure except for a decrease in the depth of the absorption feature near 1250-1300 nm and an overall decrease in reflectance. New visible/near-infrared spectra (400-2500 nm) of experimentally shocked (17-56 GPa) albite- and anorthite-rich rock powders demonstrate similar trends, including the loss of minor hydrated mineral bands near 1410, 1930, 2250, and 2350 nm. However, the most interesting new observations are increases in reflectance at intermediate pressures, followed by subsequent decreases in reflectance at higher pressures. The amount of internal scattering and overall sample reflectance is controlled by the relative proportions of micro-fractures, submicron grains, diaplectic glass, and melts formed during shock metamorphism. We interpret the observed reflectance increases at intermediate pressures to result from progressively larger proportions of submicron feldspar grains and diaplectic glass. The ensuing decreases in reflectance occur after diaplectic glass formation is complete and the proportion of genuine melt inclusions increases. The pressure regimes over which these reflectance variations occur differ between albite and anorthite, consistent with thermal infrared spectra of these samples and previous studies of shocked feldspars. These types of spectral variations associated with different peak shock pressures should be considered during interpretation and modeling of visible/near-infrared remotely sensed spectra of planetary and asteroidal surfaces.

Infrared reflectance spectra (4-12 micron) of lunar samples

NASA Technical Reports Server (NTRS)

Nash, Douglas B.

1991-01-01

Presented here are infrared reflectance spectra of a typical set of Apollo samples to illustrate spectral character in the mid-infrared (4 to 12 microns) of lunar materials and how the spectra varies among three main forms: soil, breccia, and igneous rocks. Reflectance data, to a close approximation, are the inverse of emission spectra; thus, for a given material the spectral reflectance (R) at any given wavelength is related to emission (E) by 1 - R equals E. Therefore, one can use reflectance spectra of lunar samples to predict how emission spectra of material on the lunar surface will appear to spectrometers on orbiting spacecraft or earthbound telescopes. Spectra were measured in the lab in dry air using a Fourier Transform Infrared spectrometer. Shown here is only the key portion (4 to 12 microns) of each spectrum relating to the principal spectral emission region for sunlit lunar materials and to where the most diagnostic spectral features occur.

Infrared Spectra of Polycyclic Aromatic Hydrocarbons (PAHs)

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Bakes, E. L. O.

2000-01-01

We have computed the synthetic infrared spectra of some polycyclic aromatic hydrocarbons containing up to 54 carbon atoms. The species studied include ovalene, circumcoronene, dicoronylene, and hexabenzocoronene. We report spectra for anions, neutrals, cations, and multiply charged cations.

High-coherence mid-infrared dual-comb spectroscopy spanning 2.6 to 5.2 μm

NASA Astrophysics Data System (ADS)

Ycas, Gabriel; Giorgetta, Fabrizio R.; Baumann, Esther; Coddington, Ian; Herman, Daniel; Diddams, Scott A.; Newbury, Nathan R.

2018-04-01

Mid-infrared dual-comb spectroscopy has the potential to supplant conventional Fourier-transform spectroscopy in applications requiring high resolution, accuracy, signal-to-noise ratio and speed. Until now, mid-infrared dual-comb spectroscopy has been limited to narrow optical bandwidths or low signal-to-noise ratios. Using digital signal processing and broadband frequency conversion in waveguides, we demonstrate a mid-infrared dual-comb spectrometer covering 2.6 to 5.2 µm with comb-tooth resolution, sub-MHz frequency precision and accuracy, and a spectral signal-to-noise ratio as high as 6,500. As a demonstration, we measure the highly structured, broadband cross-section of propane from 2,840 to 3,040 cm-1, the complex phase/amplitude spectra of carbonyl sulfide from 2,000 to 2,100 cm-1, and of a methane, acetylene and ethane mixture from 2,860 to 3,400 cm-1. The combination of broad bandwidth, comb-mode resolution and high brightness will enable accurate mid-infrared spectroscopy in precision laboratory experiments and non-laboratory applications including open-path atmospheric gas sensing, process monitoring and combustion.

Simulation of Infrared Spectra of Carbonaceous Grains

NASA Astrophysics Data System (ADS)

Dadswell, G.; Duley, W. W.

1997-02-01

Random covalent network (RCN) theory is applied to describe the infrared spectroscopic properties of carbonaceous solids with compositions containing a mixture of aromatic, aliphatic, and diamond-like hydrocarbons. Application of this technique to carbonaceous dust is equivalent to the synthesis of solids whose structure and bonding satisfy stoicheometry while minimizing strain energy. The result involves a range of compositions compatible with carbon bonding and the hydrogen concentration incorporated in the network. In general, only a limited range of compositions is available rather than the infinite number of possible compositions expected without the inclusion of these constraints. When compositions have been defined in this way, infrared spectra may be synthesized for comparison with astronomical spectra of interstellar carbonaceous solids. Such spectra contain components corresponding to absorption by CHn groups in which n = 1-3. We find, however, that additional spectral features, not included in our simple chemical model, must be present also in dust. We give plots of such spectra in the 3100-2800 cm-1 (3.2-3.6 μm) region for comparison with infrared spectra of interstellar dust. We have also developed an RCN formalism that incorporates oxygen into the carbon network as OH groups, and we show that this inclusion introduces a strong additional absorption band in the 3300 cm-1 (3.0 μm) region.

Near-Infrared high resolution spectral survey of comets with GIANO/TNG: The CN red-system at 1.1 μm

NASA Astrophysics Data System (ADS)

Faggi, Sara; Villanueva, Geronimo Luis; Mumma, Michael J.; Tozzi, Gian-Paolo; Brucato, John Robert

2016-10-01

High-resolution spectroscopy in the near-infrared spectral range is a powerful tool to investigate chemical composition and isotopic fractionation.Comets are the best preserved relic of the enfant stages of the solar system. By targeting biologically relevant species in cometary comae and retrieving isotopic (e.g. D/H) and spin isomeric (e.g., ortho- and para- water) ratios, we can study the formation and evolution of solar system matter, address the origin of Earth's oceans and characterize the delivery of organic matter that was essential for the appearance of life on early Earth. We initiated the first high resolution spectral survey of comets ever conducted in the 0.9-2.5 μm range, targeting C/2014 Q2 (Lovejoy), C/2013 US10 (Catalina) and C/2013 X1 (Panstarrs) with GIANO - the near-IR high resolution spectrograph on Telescopio Nazionale Galileo (TNG). In comet Lovejoy, we detected eight ro-vibrational bands of H2O (Faggi et al., 2016, ApJ in press), emission from the red-system of CN, and many other emission lines whose precursors are now being identified. In this talk we will present a new quantum mechanical solar fluorescence model for the CN red system and the retrievals obtained with it from our cometary spectra. These observations open new pathways for cometary science in the near-infrared spectral range (0.9-2.5 μm) and establish the feasibility of astrobiology-related scientific investigations with future high resolution IR spectrographs on 30-m class telescopes, e.g., the HIRES spectrograph on the E-ELT telescope. This work is part of Sara Faggi's Ph.D. thesis project. NASA's Planetary Astronomy Program supported GLV and MJM through funding awarded under proposal 11-PAST11-0045 (M. J. Mumma, PI ).

Modeling of aircraft exhaust emissions and infrared spectra for remote measurement of nitrogen oxides

NASA Astrophysics Data System (ADS)

Beier, K.; Schreier, F.

1994-10-01

Infrared (IR) molecular spectroscopy is proposed to perform remote measurements of NOx concentrations in the exhaust plume and wake of aircraft. The computer model NIRATAM is applied to simulate the physical and chemical properties of the exhaust plume and to generate low resolution IR spectra and synthetical thermal images of the aircraft in its natural surroundings. High-resolution IR spectra of the plume, including atmospheric absorption and emission, are simulated using the molecular line-by-line radiation model FASCODE2. Simulated IR spectra of a Boeing 747-400 at cruising altitude for different axial and radial positions in the jet region of the exhaust plume are presented. A number of spectral lines of NO can be identified that can be discriminated from lines of other exhaust gases and the natural atmospheric background in the region around 5.2 µm. These lines can be used to determine NO concentration profiles in the plume. The possibility of measuring nitrogen dioxide NO2 is also discussed briefly, although measurements turn out to be substantially less likely than those of NO. This feasibility study compiles fundamental data for the optical and radiometric design of an airborne Fourier transform spectrometer and the preparation of in-flight measurements for monitoring of aircraft pollutants

Simulated infrared spectra of triflic acid during proton dissociation.

PubMed

Laflamme, Patrick; Beaudoin, Alexandre; Chapaton, Thomas; Spino, Claude; Soldera, Armand

2012-05-05

Vibrational analysis of triflic acid (TfOH) at different water uptakes was conducted. This molecule mimics the sulfonate end of the Nafion side-chain. As the proton leaves the sulfonic acid group, structural changes within the Nafion side-chain take place. They are revealed by signal shifts in the infrared spectrum. Molecular modeling is used to follow structural modifications that occur during proton dissociation. To confirm the accuracy of the proposed structures, infrared spectra were computed via quantum chemical modeling based on density functional theory. The requirement to use additional diffuse functions in the basis set is discussed. Comparison between simulated infrared spectra of 1 and 2 acid molecules with different water contents and experimental data was performed. An accurate description of infrared spectra for systems containing 2 TfOH was obtained. Copyright © 2012 Wiley Periodicals, Inc.

Machine learning molecular dynamics for the simulation of infrared spectra.

PubMed

Gastegger, Michael; Behler, Jörg; Marquetand, Philipp

2017-10-01

Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for vibrational anharmonic and dynamical effects - typically neglected by conventional quantum chemistry approaches - we base our machine learning strategy on ab initio molecular dynamics simulations. While these simulations are usually extremely time consuming even for small molecules, we overcome these limitations by leveraging the power of a variety of machine learning techniques, not only accelerating simulations by several orders of magnitude, but also greatly extending the size of systems that can be treated. To this end, we develop a molecular dipole moment model based on environment dependent neural network charges and combine it with the neural network potential approach of Behler and Parrinello. Contrary to the prevalent big data philosophy, we are able to obtain very accurate machine learning models for the prediction of infrared spectra based on only a few hundreds of electronic structure reference points. This is made possible through the use of molecular forces during neural network potential training and the introduction of a fully automated sampling scheme. We demonstrate the power of our machine learning approach by applying it to model the infrared spectra of a methanol molecule, n -alkanes containing up to 200 atoms and the protonated alanine tripeptide, which at the same time represents the first application of machine learning techniques to simulate the dynamics of a peptide. In all of these case studies we find an excellent agreement between the infrared spectra predicted via machine learning models and the respective theoretical and experimental spectra.

Recovering NOAA 1,2,3,4 Infrared and visible high resolution data, 1974-1977.

NASA Astrophysics Data System (ADS)

Campbell, G. G.

2017-12-01

The NOAA satellites 1 to 4 (1974-1977) had high resolution visible and infrared detectors which made daily observations of the Earth from sun-synchronous orbits so both day and night observations were made. Here we describe the recovery of this data at 25 km resolution by digitizing the half tome prints from publication NOAA #54 which provides daily composites of the scan observations. The infrared images can be calibrated using the 280 km resolution digital archive still maintained by NOAA from this Scanning Radiometer data. This is an extension of our recovery of the ESSA 1,3,5,7 and 9 data from 1966 to 1974. This much higher resolution product provides much richer detail about the Earth in the 1970's. As a particular example we will discuss the large polynya in the sea ice in the Wedell sea first noted in the Electrically Scanned Microwave Radiometer observations from 1974 to 1976. The visible data verify the presence of the large open water region in the middle of the pack ice in the winters of 1974, 5 and 6. In addition we will discuss the cloud fields and motions over this region apparent from the recovered high resolution observations. One can also see hints of this phenomenon occurring in 2016 and 2017.

Analysis of Archival Low-Resolution Near-Infrared Spectra to Measure Pluto's Atmosphere.

NASA Astrophysics Data System (ADS)

Cook, Jason C.; Young, Leslie; Cruikshank, Dale P.

2017-10-01

First detected via occultation observations, Pluto's atmosphere has changed since its discovery in the 1980s (Brosch & Mendelson, 1985; Elliot et al., 1989). Between the occultations of 1988 and 2002, the surface pressure doubled (Elliot et al., 2003) as Pluto passed through perihelion in 1989. In the years following the 2002 occultation, only a slight increase in the surface pressure has been noted (Young et al. 2013; Olkin et al. 2015). High-resolution spectroscopy has also been used to determine the composition of Pluto's atmosphere. This was first successfully done in 1992 (Young et al., 1997), but no follow up detection was made until 2008 (Lellouch et al. 2009). With a gap in the occultation and spectroscopic records, we have little information on how and when Pluto's atmosphere changed. In order to fill in this gap, we are examining low spectral resolution, high signal-to-noise spectra of Pluto such as Cook et al (2014) presented previously. At this meeting, we will report on additional archive observations from Gemini. These data were taken between 2004 and 2008 using the NIRI+Altair (adaptive optics instrument) and GNIRS instruments. These have resolving powers (λ/Δλ) of ~600 and 6000, respectively. Both data sets cover the K-band spectral range (1.95 to 2.40 μm) where gaseous CH4 has several strong lines, such as the ν3+ν4 Q-branch near 2.317 μm.Funding for this work has been provided by NASA-PATM grant NNX12AK62G.

Meeting the Cool Neighbors. XII. An Optically Anchored Analysis of the Near-infrared Spectra of L Dwarfs

NASA Astrophysics Data System (ADS)

Cruz, Kelle L.; Núñez, Alejandro; Burgasser, Adam J.; Abrahams, Ellianna; Rice, Emily L.; Reid, I. Neill; Looper, Dagny

2018-01-01

Discrepancies between competing optical and near-infrared (NIR) spectral typing systems for L dwarfs have motivated us to search for a classification scheme that ties the optical and NIR schemes together, and addresses complexities in the spectral morphology. We use new and extant optical and NIR spectra to compile a sample of 171 L dwarfs, including 27 low-gravity β and γ objects, with spectral coverage from 0.6–2.4 μm. We present 155 new low-resolution NIR spectra and 19 new optical spectra. We utilize a method for analyzing NIR spectra that partially removes the broad-band spectral slope and reveals similarities in the absorption features between objects of the same optical spectral type. Using the optical spectra as an anchor, we generate near-infrared spectral average templates for L0–L8, L0–L4γ, and L0–L1β type dwarfs. These templates reveal that NIR spectral morphologies are correlated with the optical types. They also show the range of spectral morphologies spanned by each spectral type. We compare low-gravity and field-gravity templates to provide recommendations on the minimum required observations for credibly classifying low-gravity spectra using low-resolution NIR data. We use the templates to evaluate the existing NIR spectral standards and propose new ones where appropriate. Finally, we build on the work of Kirkpatrick et al. to provide a spectral typing method that is tied to the optical and can be used when only H or K band data are available. The methods we present here provide resolutions to several long-standing issues with classifying L dwarf spectra and could also be the foundation for a spectral classification scheme for cloudy exoplanets.

High-resolution emission spectra of pulsed terahertz quantum-cascade lasers

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

Ikonnikov, A. V., E-mail: antikon@ipm.sci-nnov.ru; Antonov, A. V.; Lastovkin, A. A.

The spectra of pulsed terahertz quantum-cascade lasers were measured with high spectral resolution. The characteristic line width at half maximum was 0.01 cm{sup -1}; it is controlled by laser temperature variations during the supply voltage pulse. It was shown that an increase in the laser temperature leads to a decrease in the emission frequency, which is caused by an increase in the effective refractive index of the active region. It was also found that a decrease in the supply voltage results in a decrease in the emission frequency, which is caused by a change in the energy of diagonal transitionsmore » between lasing levels.« less

Stars and their Environments at High-Resolution with IGRINS

NASA Astrophysics Data System (ADS)

Mace, Gregory; Jaffe, Daniel; Kaplan, Kyle; Kidder, Benjamin; Oh, Heeyoung; Sneden, Christopher; Afşar, Melike

2016-06-01

TheImmersion Grating Infrared Spectrometer (IGRINS) is a revolutionary instrument that exploits broad spectral coverage at high-resolution in the near-infrared. There are no moving parts in IGRINS and its high-throughput white-pupil design maximizes sensitivity. IGRINS on the 2.7 meter Harlan J. Smith Telescope at McDonald Observatory is nearly as sensitive as CRIRES at the 8 meter Very Large Telescope. However, IGRINS at R=45,000 has more than 30 times the spectral grasp of CRIRES. The use of an immersion grating facilitates a compact cryostat while providing simultaneous H and K band observations with complete wavelength coverage from 1.45 - 2.45 microns. Here we discuss details of instrument performance and summarize the application of IGRINS to stellar characterization, star formation in regions like Taurus and Ophiuchus, the interstellar medium, and photodissociation regions. IGRINS has the largest spectral grasp of any high-resolution, near-infrared spectrograph, allowing us to study star formation and evolution in unprecedented detail. With its fixed format and high sensitivity, IGRINS is a great survey instrument for star clusters, high signal-to-noise (SNR>300) studies of field stars, and for mapping the interstellar medium. As a prototype for GMTNIRS on the Giant Magellan Telescope, IGRINS represents the future of high-resolution spectroscopy. In the future IGRINS will be deployed to numerous facilities and will remain a versatile instrument for the community while producing a rich archive of uniform spectra.

Interstellar lines in high resolution IUE spectra. Part 1: Groningen data reduction package and technical results

NASA Astrophysics Data System (ADS)

Gilra, D. P.; Pwa, T. H.; Arnal, E. M.; de Vries, J.

1982-06-01

In order to process and analyze high resolution IUE data on a large number of interstellar lines in a large number of images for a large number of stars, computer programs were developed for 115 lines in the short wavelength range and 40 in the long wavelength range. Programs include extraction, processing, plotting, averaging, and profile fitting. Wavelength calibration in high resolution spectra, fixed pattern noise, instrument profile and resolution, and the background problem in the region where orders are crowding are discussed. All the expected lines are detected in at least one spectrum.

Infrared and near infrared emission spectra of TeH and TeD

NASA Astrophysics Data System (ADS)

Yu, Shanshan; Shayesteh, Alireza; Fu, Dejian; Bernath, Peter F.

2005-04-01

The vibration-rotation emission spectra for the X2Π ground state and the near infrared emission spectra of the X2Π 1/2- X2Π 3/2 system of the TeH and TeD free radicals have been measured at high resolution using a Fourier transform spectrometer. TeH and TeD were generated in a tube furnace with a DC discharge of a flowing mixture of argon, hydrogen (or deuterium), and tellurium vapor. In the infrared region, for the X2Π 3/2 spin component we observed the 1-0, 2-1, and 3-2 vibrational bands for most of the eight isotopologues of TeH and the 1-0 and 2-1 bands for three isotopologues of TeD. For the X2Π 1/2- X2Π 3/2 transition, we observed the 0-0 and 1-1 bands for TeH and the 0-0, 1-1, and 2-2 bands for TeD. Except for a few lines, the tellurium isotopic shift was not resolved for the X2Π 1/2- X2Π 3/2 transitions of TeH and TeD. Local perturbations with Δ v = 2 between the two spin components of the X2Π state of TeH were found: X2Π 1/2, v = 0 with X2Π 3/2, v = 2; X2Π 1/2, v = 1 with X2Π 3/2, v = 3. The new data were combined with the previous data from the literature and two kinds of fits (Hund's case (a) and Hund's case (c)) were carried out for each of the 10 observed isotopologues: 130TeD, 128TeD, 126TeD, 130TeH, 128TeH, 126TeH, 125TeH, 124TeH, 123TeH, and 122TeH.

Determination of atmospheric moisture structure and infrared cooling rates from high resolution MAMS radiance data

NASA Technical Reports Server (NTRS)

Menzel, W. Paul; Moeller, Christopher C.; Smith, William L.

1991-01-01

This program has applied Multispectral Atmospheric Mapping Sensor (MAMS) high resolution data to the problem of monitoring atmospheric quantities of moisture and radiative flux at small spatial scales. MAMS, with 100-m horizontal resolution in its four infrared channels, was developed to study small scale atmospheric moisture and surface thermal variability, especially as related to the development of clouds, precipitation, and severe storms. High-resolution Interferometer Sounder (HIS) data has been used to develop a high spectral resolution retrieval algorithm for producing vertical profiles of atmospheric temperature and moisture. The results of this program are summarized and a list of publications resulting from this contract is presented. Selected publications are attached as an appendix.

Long linear MWIR and LWIR HgCdTe infrared detection arrays for high resolution imaging

NASA Astrophysics Data System (ADS)

Chamonal, Jean-Paul; Audebert, Patrick; Medina, Philippe; Destefanis, Gérard; Deschamps, Joel R.; Girard, Michel; Chatard, Jean-Pierre

2018-04-01

This paper, "Long linear MWIR and LWIR HgCdTe infrared detection arrays for high resolution imaging," was presented as part of International Conference on Space Optics—ICSO 1997, held in Toulouse, France.

High-Resolution Mars Camera Test Image of Moon (Infrared)

NASA Technical Reports Server (NTRS)

2005-01-01

This crescent view of Earth's Moon in infrared wavelengths comes from a camera test by NASA's Mars Reconnaissance Orbiter spacecraft on its way to Mars. The mission's High Resolution Imaging Science Experiment camera took the image on Sept. 8, 2005, while at a distance of about 10 million kilometers (6 million miles) from the Moon. The dark feature on the right is Mare Crisium. From that distance, the Moon would appear as a star-like point of light to the unaided eye. The test verified the camera's focusing capability and provided an opportunity for calibration. The spacecraft's Context Camera and Optical Navigation Camera also performed as expected during the test.

The Mars Reconnaissance Orbiter, launched on Aug. 12, 2005, is on course to reach Mars on March 10, 2006. After gradually adjusting the shape of its orbit for half a year, it will begin its primary science phase in November 2006. From the mission's planned science orbit about 300 kilometers (186 miles) above the surface of Mars, the high resolution camera will be able to discern features as small as one meter or yard across.

H+, O2+, O3+ and high resolution PIXE spectra of Yb2O3

NASA Astrophysics Data System (ADS)

Chaves, P. C.; Reis, M. A.

2017-11-01

The number of X-ray spectrometry systems having energy resolution of the order of 10 eV, or less, has increasing recently, included already energy dispersive systems (EDS). Access to previous unseen spectra details and enhanced information including speciation, becomes more common and available. Analysis of high resolution EDS PIXE spectra is, nevertheless a complex task due to the need to carefully account for contributions from minor and satellite transitions. In this work, a pure Yb2O3 sample was irradiated at the HRHE-PIXE setup of C2TN, and simultaneous CdTe and X-ray Microcalorimeter Spectrometer (XMS) spectra were collected. The L-shell spectrum of Yb emitted during irradiations using H+ , O2+ and O3+ ions in the energy range from 1.0 to 6.5 MeV was studied. Measured L X-ray spectra were analysed taking into account the effects of the multiple ionization in the L and M shells. All spectra were analysed using the DT2 code, which allows to include in the fitting model diagram lines as well as multi-ionization satellites and any other contributions. In this communication we present the results and discuss details and problems related to the transition energies, intensity, line width data, and multiple ionization satellites.

LSD-based analysis of high-resolution stellar spectra

NASA Astrophysics Data System (ADS)

Tsymbal, V.; Tkachenko, A.; Van, Reeth T.

2014-11-01

We present a generalization of the method of least-squares deconvolution (LSD), a powerful tool for extracting high S/N average line profiles from stellar spectra. The generalization of the method is effected by extending it towards the multiprofile LSD and by introducing the possibility to correct the line strengths from the initial mask. We illustrate the new approach by two examples: (a) the detection of astroseismic signatures from low S/N spectra of single stars, and (b) disentangling spectra of multiple stellar objects. The analysis is applied to spectra obtained with 2-m class telescopes in the course of spectroscopic ground-based support for space missions such as CoRoT and Kepler. Usually, rather high S/N is required, so smaller telescopes can only compete successfully with more advanced ones when one can apply a technique that enables a remarkable increase in the S/N of the spectra which they observe. Since the LSD profiles have a potential for reconstruction what is common in all the spectral profiles, it should have a particular practical application to faint stars observed with 2-m class telescopes and whose spectra show remarkable LPVs.

Constraints on Circumstellar Dust Grain Sizes from High Spatial Resolution Observations in the Thermal Infrared

NASA Technical Reports Server (NTRS)

Bloemhof, E. E.; Danen, R. M.; Gwinn, C. R.

1996-01-01

We describe how high spatial resolution imaging of circumstellar dust at a wavelength of about 10 micron, combined with knowledge of the source spectral energy distribution, can yield useful information about the sizes of the individual dust grains responsible for the infrared emission. Much can be learned even when only upper limits to source size are available. In parallel with high-resolution single-telescope imaging that may resolve the more extended mid-infrared sources, we plan to apply these less direct techniques to interpretation of future observations from two-element optical interferometers, where quite general arguments may be made despite only crude imaging capability. Results to date indicate a tendency for circumstellar grain sizes to be rather large compared to the Mathis-Rumpl-Nordsieck size distribution traditionally thought to characterize dust in the general interstellar medium. This may mean that processing of grains after their initial formation and ejection from circumstellar atmospheres adjusts their size distribution to the ISM curve; further mid-infrared observations of grains in various environments would help to confirm this conjecture.

High spatial resolution burn severity mapping of the New Jersey Pine Barrens with WorldView-3 near-infrared and shortwave infrared imagery

Treesearch

Timothy A. Warner; Nicholas S. Skowronski; Michael R. Gallagher

2017-01-01

The WorldView-3 (WV-3) sensor, launched in 2014, is the first highspatial resolution scanner to acquire imagery in the shortwave infrared (SWIR). A spectral ratio of the SWIR combined with the nearinfrared (NIR) can potentially provide an effective differentiation of wildfire burn severity. Previous high spatial resolution sensors were limited to data fromthe visible...

Super resolution reconstruction of infrared images based on classified dictionary learning

NASA Astrophysics Data System (ADS)

Liu, Fei; Han, Pingli; Wang, Yi; Li, Xuan; Bai, Lu; Shao, Xiaopeng

2018-05-01

Infrared images always suffer from low-resolution problems resulting from limitations of imaging devices. An economical approach to combat this problem involves reconstructing high-resolution images by reasonable methods without updating devices. Inspired by compressed sensing theory, this study presents and demonstrates a Classified Dictionary Learning method to reconstruct high-resolution infrared images. It classifies features of the samples into several reasonable clusters and trained a dictionary pair for each cluster. The optimal pair of dictionaries is chosen for each image reconstruction and therefore, more satisfactory results is achieved without the increase in computational complexity and time cost. Experiments and results demonstrated that it is a viable method for infrared images reconstruction since it improves image resolution and recovers detailed information of targets.

Spectrum syntheses of high-resolution integrated light spectra of Galactic globular clusters

NASA Astrophysics Data System (ADS)

Sakari, Charli M.; Shetrone, Matthew; Venn, Kim; McWilliam, Andrew; Dotter, Aaron

2013-09-01

Spectrum syntheses for three elements (Mg, Na and Eu) in high-resolution integrated light spectra of the Galactic globular clusters 47 Tuc, M3, M13, NGC 7006 and M15 are presented, along with calibration syntheses of the solar and Arcturus spectra. Iron abundances in the target clusters are also derived from integrated light equivalent width analyses. Line profiles in the spectra of these five globular clusters are well fitted after careful consideration of the atomic and molecular spectral features, providing levels of precision that are better than equivalent width analyses of the same integrated light spectra, and that are comparable to the precision in individual stellar analyses. The integrated light abundances from the 5528 and 5711 Å Mg I lines, the 6154 and 6160 Å Na I lines, and the 6645 Å Eu II line fall within the observed ranges from individual stars; however, these integrated light abundances do not always agree with the average literature abundances. Tests with the second parameter clusters M3, M13 and NGC 7006 show that assuming an incorrect horizontal branch morphology is likely to have only a small ( ≲ 0.06 dex) effect on these Mg, Na and Eu abundances. These tests therefore show that integrated light spectrum syntheses can be applied to unresolved globular clusters over a wide range of metallicities and horizontal branch morphologies. Such high precision in integrated light spectrum syntheses is valuable for interpreting the chemical abundances of globular cluster systems around other galaxies.

CHEMICAL ABUNDANCES IN FIELD RED GIANTS FROM HIGH-RESOLUTION H-BAND SPECTRA USING THE APOGEE SPECTRAL LINELIST

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

Smith, Verne V.; Cunha, Katia; Shetrone, Matthew D.

2013-03-01

High-resolution H-band spectra of five bright field K, M, and MS giants, obtained from the archives of the Kitt Peak National Observatory Fourier transform spectrometer, are analyzed to determine chemical abundances of 16 elements. The abundances were derived via spectrum synthesis using the detailed linelist prepared for the Sloan Digital Sky Survey III Apache Point Galactic Evolution Experiment (APOGEE), which is a high-resolution near-infrared spectroscopic survey to derive detailed chemical abundance distributions and precise radial velocities for 100,000 red giants sampling all Galactic stellar populations. The red giant sample studied here was chosen to probe which chemical elements can bemore » derived reliably from the H-band APOGEE spectral region. These red giants consist of two K-giants ({alpha} Boo and {mu} Leo), two M-giants ({beta} And and {delta} Oph), and one thermally pulsing asymptotic giant branch (TP-AGB) star of spectral type MS (HD 199799). Measured chemical abundances include the cosmochemically important isotopes {sup 12}C, {sup 13}C, {sup 14}N, and {sup 16}O, along with Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu. The K and M giants exhibit the abundance signature of the first dredge-up of CN-cycle material, while the TP-AGB star shows clear evidence of the addition of {sup 12}C synthesized during {sup 4}He-burning thermal pulses and subsequent third dredge-up. A comparison of the abundances derived here with published values for these stars reveals consistent results to {approx}0.1 dex. The APOGEE spectral region and linelist is thus well suited for probing both Galactic chemical evolution, as well as internal nucleosynthesis and mixing in populations of red giants via high-resolution spectroscopy.« less

High-resolution synchrotron infrared spectroscopy of thiophosgene: The ν1, ν5, 2ν4, and ν2 + 2ν6 bands

NASA Astrophysics Data System (ADS)

McKellar, A. R. W.; Billinghurst, B. E.

2015-09-01

Thiophosgene (Cl2CS) is a favorite model system for studies of photophysics, vibrational dynamics, and intersystem interactions. But its infrared spectra tend to be very congested due to hot bands and multiple isotopic species. This paper reports the first detailed study of the ν1 (∼1139 cm-1) and ν5 (∼820 cm-1) fundamental bands for the two most abundant isotopologues, 35Cl2CS and 35Cl37ClCS, based on spectra with a resolution of about 0.001 cm-1 obtained at the Canadian Light Source far-infrared beamline using synchrotron radiation and a Bruker IFS125 Fourier transform spectrometer. The 2ν4 (∼942 cm-1) and ν2 + 2ν6 (∼1104 cm-1) bands are also studied here, but the ν2 + ν6 band (∼795 cm-1) resisted full analysis.

Connecting infrared spectra with plant traits to identify species

NASA Astrophysics Data System (ADS)

Buitrago, Maria F.; Skidmore, Andrew K.; Groen, Thomas A.; Hecker, Christoph A.

2018-05-01

Plant traits are used to define species, but also to evaluate the health status of forests, plantations and crops. Conventional methods of measuring plant traits (e.g. wet chemistry), although accurate, are inefficient and costly when applied over large areas or with intensive sampling. Spectroscopic methods, as used in the food industry and mineralogy, are nowadays applied to identify plant traits, however, most studies analysed visible to near infrared, while infrared spectra of longer wavelengths have been little used for identifying the spectral differences between plant species. This study measured the infrared spectra (1.4-16.0 μm) on individual, fresh leaves of 19 species (from herbaceous to woody species), as well as 14 leaf traits for each leaf. The results describe at which wavelengths in the infrared the leaves' spectra can differentiate most effectively between these plant species. A Quadratic Discrimination Analysis (QDA) shows that using five bands in the SWIR or the LWIR is enough to accurately differentiate these species (Kappa: 0.93, 0.94 respectively), while the MWIR has a lower classification accuracy (Kappa: 0.84). This study also shows that in the infrared spectra of fresh leaves, the identified species-specific features are correlated with leaf traits as well as changes in their values. Spectral features in the SWIR (1.66, 1.89 and 2.00 μm) are common to all species and match the main features of pure cellulose and lignin spectra. The depth of these features varies with changes of cellulose and leaf water content and can be used to differentiate species in this region. In the MWIR and LWIR, the absorption spectra of leaves are formed by key species-specific traits including lignin, cellulose, water, nitrogen and leaf thickness. The connection found in this study between leaf traits, features and spectral signatures are novel tools to assist when identifying plant species by spectroscopy and remote sensing.

Infrared super-resolution imaging based on compressed sensing

NASA Astrophysics Data System (ADS)

Sui, Xiubao; Chen, Qian; Gu, Guohua; Shen, Xuewei

2014-03-01

The theoretical basis of traditional infrared super-resolution imaging method is Nyquist sampling theorem. The reconstruction premise is that the relative positions of the infrared objects in the low-resolution image sequences should keep fixed and the image restoration means is the inverse operation of ill-posed issues without fixed rules. The super-resolution reconstruction ability of the infrared image, algorithm's application area and stability of reconstruction algorithm are limited. To this end, we proposed super-resolution reconstruction method based on compressed sensing in this paper. In the method, we selected Toeplitz matrix as the measurement matrix and realized it by phase mask method. We researched complementary matching pursuit algorithm and selected it as the recovery algorithm. In order to adapt to the moving target and decrease imaging time, we take use of area infrared focal plane array to acquire multiple measurements at one time. Theoretically, the method breaks though Nyquist sampling theorem and can greatly improve the spatial resolution of the infrared image. The last image contrast and experiment data indicate that our method is effective in improving resolution of infrared images and is superior than some traditional super-resolution imaging method. The compressed sensing super-resolution method is expected to have a wide application prospect.

The Space High Angular Resolution Probe for the Infrared (SHARP-IR)

NASA Technical Reports Server (NTRS)

Rinehart, S. A.; Rizzo, M. J.; Leisawitz, D. T.; Staguhn, J. G.; Dipirro, M.; Mentzell, J. E.; Juanola-Parramon, R.; Dhabal, A.; Mundy, L. G.; Moseley, S. H.;

Probing the conditions within Photo-dissociation Regions with high resolution near-infrared spectroscopy of UV-excited molecular hydrogen

NASA Astrophysics Data System (ADS)

Kaplan, Kyle; Dinerstein, Harriet L.; Jaffe, Daniel Thomas

2017-01-01

UV radiation regulates the energetics, ionization, and chemistry in much of the ISM. Regions between hot ionized and cool molecular gas where non-ionizing far-UV radiation dominates the state of the gas are called Photo-Dissociation or Photon-Dominated Regions (PDRs). PDRs are found in regions of high-mass star formation, planetary nebulae, and other environments that contain strong far-UV radiation fields. Hydrogen molecules (H2) are pumped by far-UV photons into excited rotational-vibrational levels of the ground electronic state, which give rise to a rich array of transitions in the near to mid-infrared. These transitions make an excellent probe of the physical conditions within a PDR. I will present near-IR spectra taken with the Immersion GRating Infrared Spectrometer (IGRINS; Park et al. 2014, Proc. SPIE, 9147), a novel, sensitive spectrometer with high spectral resolving power (R~45000) and instantaneous broad wavelength coverage (1.45-2.45 μm). Using IGRINS, I obtained deep spectra and measured up to 100 H2 rotational-vibrational transitions in the well-studied Orion Bar PDR, four other star formation complexes, and over a dozen planetary nebulae. Measurements of many lines from a wide range of vibrational states (v=1 to 13), rotational states (J=1 to 13), and excitation energies provides leverage for constraining the overall level populations and discerning the state of and physical processes within the gas. This combination of high spectral and spatial resolution enables us to distinguish previously unresolved spatio-kinematical components with distinct intrinsic spectra and excitation mechanisms (e.g. shocks vs. radiative excitation) within some individual planetary nebulae. I use the plasma simulation code Cloudy (Ferland et al. 2013, ApJ, 757, 79) as a tool for interpreting the observed H2 line ratios. Some sources are well fit by models with a single temperature and density, consistent with emission from a narrow region of the overall PDR structure

The Mid-Infrared Transmission Spectra of Antarctic Ureilites

NASA Technical Reports Server (NTRS)

Sandford, Scott A.

1993-01-01

The mid-infrared (4000-450 1/cm; 2.5-22.2 micron) transmission spectra of seven Antarctic ureilites and 10 Antarctic H-5 ordinary chondrites are presented. The ureilite spectra show a number of absorption bands, the strongest of which is a wide, complex feature centered near 1000 1/cm (10 micron) due to Si-O stretching vibrations in silicates. The profiles and positions of the substructure in this feature indicate that Mg-rich olivines and pyroxenes are the main silicates responsible. The relative abundances of these two minerals, as inferred from the spectra, show substantial variation from meteorite to meteorite, but generally indicate olivine is the most abundant (olivine:pyroxene = 60:40 to 95:5). Both the predominance of olivine and the variable olivine-to-pyroxene ratio are consistent with the known composition and heterogeneity of ureilites. The H-5 ordinary chondrites spanned a range of weathering classes and were used to provide a means of addressing the extent to which the ureilite spectra may have been altered by weathering processes. It was found that, while weathering of these meteorites produces some weak bands due to the formation of small amounts of carbonates and hydrates, the profile of the main silicate feature has been little affected by Antarctic exposure in the meteorites studied here. The mid-infrared ureilite spectra provide an additional means of testing potential asteroidal parent bodies for the ureilites. At present, the best candidates include the subset of S-type asteroids having low albedos and weak absorption features in the near infrared.

Optical and Near-infrared Spectra of σ Orionis Isolated Planetary-mass Objects

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

Zapatero Osorio, M. R.; Béjar, V. J. S.; Ramírez, K. Peña, E-mail: mosorio@cab.inta-csic.es, E-mail: vbejar@iac.es, E-mail: karla.pena@uantof.cl

We have obtained low-resolution optical (0.7–0.98 μ m) and near-infrared (1.11–1.34 μ m and 0.8–2.5 μ m) spectra of 12 isolated planetary-mass candidates ( J = 18.2–19.9 mag) of the 3 Myr σ Orionis star cluster with the aim of determining the spectroscopic properties of very young, substellar dwarfs and assembling a complete cluster mass function. We have classified our targets by visual comparison with high- and low-gravity standards and by measuring newly defined spectroscopic indices. We derived L0–L4.5 and M9–L2.5 using high- and low-gravity standards, respectively. Our targets reveal clear signposts of youth, thus corroborating their cluster membership andmore » planetary masses (6–13 M {sub Jup}). These observations complete the σ Orionis mass function by spectroscopically confirming the planetary-mass domain to a confidence level of ∼75%. The comparison of our spectra with BT-Settl solar metallicity model atmospheres yields a temperature scale of 2350–1800 K and a low surface gravity of log g ≈ 4.0 [cm s{sup −2}], as would be expected for young planetary-mass objects. We discuss the properties of the cluster’s least-massive population as a function of spectral type. We have also obtained the first optical spectrum of S Ori 70, a T dwarf in the direction of σ Orionis. Our data provide reference optical and near-infrared spectra of very young L dwarfs and a mass function that may be used as templates for future studies of low-mass substellar objects and exoplanets. The extrapolation of the σ Orionis mass function to the solar neighborhood may indicate that isolated planetary-mass objects with temperatures of ∼200–300 K and masses in the interval 6–13 M {sub Jup} may be as numerous as very low-mass stars.« less

High-Resolution Synchrotron Infrared Spectroscopy of Thiophosgene: the νb{1}, νb{5}, 2νb{4}, and νb{2} + 2νb{6} bands

NASA Astrophysics Data System (ADS)

McKellar, Bob; Billinghurst, Brant E.

2015-06-01

Thiophosgene (Cl_2CS) is a favorite model system for studies of photophysics, vibrational dynamics, and intersystem interactions. But at high resolution its infrared spectrum is very congested due to hot bands and multiple isotopic species. Previously, we reported the first high resolution IR study of this molecule, analyzing the νb{2} (504 wn) and νb{4} (471 wn) fundamental bands. Here we continue, with analysis of the νb{1} (1139 wn) and νb{5} (820 wn) fundamentals for the two most abundant isotopologues, 35Cl2CS and 35Cl37ClCS, based on spectra with a resolution of about 0.001 wn obtained at the Canadian Light Source far-infrared beamline using synchrotron radiation and a Bruker IFS125 Fourier transform spectrometer. The νb{2} + νb{4} (942 wn) and νb{2} + 2νb{6} (1104 wn) bands are also studied here. But so far the νb{2} + νb{6} combination band (795 wn) resists analysis, as do the weak νb{3} (292.9 wn) and νb{6} (≈300? wn) fundamentals. A.R.W. McKellar, B.E.Billinghurst, J. Mol. Spectrosc. 260, 66 (2010).

Surface Temperature Mapping of the University of Northern Iowa Campus Using High Resolution Thermal Infrared Aerial Imageries

PubMed Central

Savelyev, Alexander; Sugumaran, Ramanathan

2008-01-01

The goal of this project was to map the surface temperature of the University of Northern Iowa campus using high-resolution thermal infrared aerial imageries. A thermal camera with a spectral bandwidth of 3.0-5.0 μm was flown at the average altitude of 600 m, achieving ground resolution of 29 cm. Ground control data was used to construct the pixel- to-temperature conversion model, which was later used to produce temperature maps of the entire campus and also for validation of the model. The temperature map then was used to assess the building rooftop conditions and steam line faults in the study area. Assessment of the temperature map revealed a number of building structures that may be subject to insulation improvement due to their high surface temperatures leaks. Several hot spots were also identified on the campus for steam pipelines faults. High-resolution thermal infrared imagery proved highly effective tool for precise heat anomaly detection on the campus, and it can be used by university facility services for effective future maintenance of buildings and grounds. PMID:27873800

The impact of clustering and angular resolution on far-infrared and millimeter continuum observations

NASA Astrophysics Data System (ADS)

Béthermin, Matthieu; Wu, Hao-Yi; Lagache, Guilaine; Davidzon, Iary; Ponthieu, Nicolas; Cousin, Morgane; Wang, Lingyu; Doré, Olivier; Daddi, Emanuele; Lapi, Andrea

2017-11-01

Follow-up observations at high-angular resolution of bright submillimeter galaxies selected from deep extragalactic surveys have shown that the single-dish sources are comprised of a blend of several galaxies. Consequently, number counts derived from low- and high-angular-resolution observations are in tension. This demonstrates the importance of resolution effects at these wavelengths and the need for realistic simulations to explore them. We built a new 2 deg2 simulation of the extragalactic sky from the far-infrared to the submillimeter. It is based on an updated version of the 2SFM (two star-formation modes) galaxy evolution model. Using global galaxy properties generated by this model, we used an abundance-matching technique to populate a dark-matter lightcone and thus simulate the clustering. We produced maps from this simulation and extracted the sources, and we show that the limited angular resolution of single-dish instruments has a strong impact on (sub)millimeter continuum observations. Taking into account these resolution effects, we are reproducing a large set of observables, as number counts and their evolution with redshift and cosmic infrared background power spectra. Our simulation consistently describes the number counts from single-dish telescopes and interferometers. In particular, at 350 and 500 μm, we find that the number counts measured by Herschel between 5 and 50 mJy are biased towards high values by a factor 2, and that the redshift distributions are biased towards low redshifts. We also show that the clustering has an important impact on the Herschel pixel histogram used to derive number counts from P(D) analysis. We find that the brightest galaxy in the beam of a 500 μm Herschel source contributes on average to only 60% of the Herschel flux density, but that this number will rise to 95% for future millimeter surveys on 30 m-class telescopes (e.g., NIKA2 at IRAM). Finally, we show that the large number density of red Herschel sources

On the Widths of Bands in the Infrared Spectra of Oxyanions.

PubMed

Griffiths, Peter R; Eastman Fries, Brandy; Weakley, Andrew T

2018-01-01

It is well known that the antisymmetric stretching (ν 3 ) band in the mid-infrared spectra of oxyanion salts is usually very broad, whereas all the other fundamental bands are narrow. In this paper, we propose that the underlying cause of the increased width is the effect of the very high absorption index of this band for samples prepared with a range of particle sizes. When oxyanion salts are ground, the diameter of the resulting particles usually varies from less than 100 nm to about 2 µm. While the peak absorbance of the ν 3 band of the smaller particles (diameter < 200 nm) is less than 1, that of the larger particles can be as high as 6. We show that the average transmittance of these particles leads to a significant band broadening, especially when there are small voids in the resulting sample. Although the effect is always seen in the spectra of alkali halide disks and mineral oil mulls, it is also seen in diffuse reflection and attenuated total reflection (ATR) spectra. Because the depth of penetration of infrared radiation below 1500 cm -1 is less than 1 µm for ATR spectra measured with a germanium internal reflection element (IRE), the width of the ν 3 band is lower than that of ATR spectra measured with an IRE of lower refractive index such as diamond on zinc selenide.

IN-SYNC I: Homogeneous stellar parameters from high-resolution apogee spectra for thousands of pre-main sequence stars

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

Cottaar, Michiel; Meyer, Michael R.; Covey, Kevin R.

2014-10-20

Over two years, 8859 high-resolution H-band spectra of 3493 young (1-10 Myr) stars were gathered by the multi-object spectrograph of the APOGEE project as part of the IN-SYNC ancillary program of the SDSS-III survey. Here we present the forward modeling approach used to derive effective temperatures, surface gravities, radial velocities, rotational velocities, and H-band veiling from these near-infrared spectra. We discuss in detail the statistical and systematic uncertainties in these stellar parameters. In addition, we present accurate extinctions by measuring the E(J – H) of these young stars with respect to the single-star photometric locus in the Pleiades. Finally, wemore » identify an intrinsic stellar radius spread of about 25% for late-type stars in IC 348 using three (nearly) independent measures of stellar radius, namely, the extinction-corrected J-band magnitude, the surface gravity, and the Rsin i from the rotational velocities and literature rotation periods. We exclude that this spread is caused by uncertainties in the stellar parameters by showing that the three estimators of stellar radius are correlated, so that brighter stars tend to have lower surface gravities and larger Rsin i than fainter stars at the same effective temperature. Tables providing the spectral and photometric parameters for the Pleiades and IC 348 have been provided online.« less

IN-SYNC I: Homogeneous Stellar Parameters from High-resolution APOGEE Spectra for Thousands of Pre-main Sequence Stars

NASA Astrophysics Data System (ADS)

Cottaar, Michiel; Covey, Kevin R.; Meyer, Michael R.; Nidever, David L.; Stassun, Keivan G.; Foster, Jonathan B.; Tan, Jonathan C.; Chojnowski, S. Drew; da Rio, Nicola; Flaherty, Kevin M.; Frinchaboy, Peter M.; Skrutskie, Michael; Majewski, Steven R.; Wilson, John C.; Zasowski, Gail

2014-10-01

Over two years, 8859 high-resolution H-band spectra of 3493 young (1-10 Myr) stars were gathered by the multi-object spectrograph of the APOGEE project as part of the IN-SYNC ancillary program of the SDSS-III survey. Here we present the forward modeling approach used to derive effective temperatures, surface gravities, radial velocities, rotational velocities, and H-band veiling from these near-infrared spectra. We discuss in detail the statistical and systematic uncertainties in these stellar parameters. In addition, we present accurate extinctions by measuring the E(J - H) of these young stars with respect to the single-star photometric locus in the Pleiades. Finally, we identify an intrinsic stellar radius spread of about 25% for late-type stars in IC 348 using three (nearly) independent measures of stellar radius, namely, the extinction-corrected J-band magnitude, the surface gravity, and the Rsin i from the rotational velocities and literature rotation periods. We exclude that this spread is caused by uncertainties in the stellar parameters by showing that the three estimators of stellar radius are correlated, so that brighter stars tend to have lower surface gravities and larger Rsin i than fainter stars at the same effective temperature. Tables providing the spectral and photometric parameters for the Pleiades and IC 348 have been provided online.

Infrared spectra of molecules and materials of astrophysical interest

NASA Technical Reports Server (NTRS)

Durig, J. R.

1978-01-01

The Raman spectra of gaseous, liquid and solid, and infrared spectra of gaseous and solid isopropylamine-d sub 0 and -d sub 2 was investigated between 4000 and 50 cm superscript -1. Differences between the spectrum of the solid phase and that of the fluid phases were interpreted in terms of an equilibrium between low energy s-trans and high energy gauche conformers, and a complete vibrational assignment was proposed for the s-trans conformer. The far infrared spectra of the gaseous compounds contained bands due to the asymmetric amino and coupled methyl torsions; the assignment of these bands was aided by observation of a number of two quantum transitions for each vibrational mode. The asymmetric potential functions were calculated, which resulted in values for the enthalpy differences between conformers in the gaseous phase of 446 and 523 callmole for the sub 0 -d and -d sub 2 compounds, respectively. The methyl torsional potential function of isopropylamine-d sub 0 was calculated which led to a value for the barrier height to internal rotation of the methyl rotors of 4.23 + or - 0.06 kcal/mole. Values for the ideal gas thermodynamic functions were calculated over a range of temperatures.

High-resolution Observations of Hα Spectra with a Subtractive Double Pass

NASA Astrophysics Data System (ADS)

Beck, C.; Rezaei, R.; Choudhary, D. P.; Gosain, S.; Tritschler, A.; Louis, R. E.

2018-02-01

High-resolution imaging spectroscopy in solar physics has relied on Fabry-Pérot interferometers (FPIs) in recent years. FPI systems, however, become technically challenging and expensive for telescopes larger than the 1 m class. A conventional slit spectrograph with a diffraction-limited performance over a large field of view (FOV) can be built at much lower cost and effort. It can be converted into an imaging spectro(polari)meter using the concept of a subtractive double pass (SDP). We demonstrate that an SDP system can reach a similar performance as FPI-based systems with a high spatial and moderate spectral resolution across a FOV of 100^'' ×100^' ' with a spectral coverage of 1 nm. We use Hα spectra taken with an SDP system at the Dunn Solar Telescope and complementary full-disc data to infer the properties of small-scale superpenumbral filaments. We find that the majority of all filaments end in patches of opposite-polarity fields. The internal fine-structure in the line-core intensity of Hα at spatial scales of about 0.5'' exceeds that in other parameters such as the line width, indicating small-scale opacity effects in a larger-scale structure with common properties. We conclude that SDP systems in combination with (multi-conjugate) adaptive optics are a valid alternative to FPI systems when high spatial resolution and a large FOV are required. They can also reach a cadence that is comparable to that of FPI systems, while providing a much larger spectral range and a simultaneous multi-line capability.

High-resolution mid-infrared spectra of Co II, Ni I, and Fe II in SN 1987A

NASA Technical Reports Server (NTRS)

Jennings, D. E.; Boyle, R. J.; Wiedemann, G. R.; Moseley, S. H.

1993-01-01

Ground-based infrared observations of SN 1987A on day 612 after the explosion have yielded resolved line profiles of Co II, Ni I, Fe II at 10.52, 11.31, and 17.94 micron, respectively. The spectra were taken at a resolving power of about 1000 with an array grating spectrometer on the 4 m telescope of Cerro Tololo Inter-American Observatory. Based on the observed line intensities we have estimated the minimum mass of each ion: M(Co II) = (6.0 +/- 1.8) x 10 exp -5 solar mass; M(Ni I) = (1.1 +/- 0.1) x 10 exp -3 solar mass; and M(Fe II) = (8.0 +/- 1.5) x 10 exp -3 solar mass. From these we infer total masses for cobalt, nickel, and iron in the ejecta. The nickel and iron line profiles are markedly asymmetric. We interpret these as arising from two components, one centered on the stellar rest velocity with an approximately 3250 km/s full width, and the second at about +1200 km/s with an approximately 1100 km/s full width. The asymmetry may represent a large-scale fracturing of the ejecta by Rayleigh-Taylor instabilities.

Near infrared Raman spectra of Rhizoma dioscoreae

NASA Astrophysics Data System (ADS)

Lin, Wenshuo; Chen, Rong; Chen, Guannan; Feng, Sangyuan; Li, Yongzeng; Huang, Zufang; Li, Yongsen

2008-03-01

A novel and compact near-infrared (NIR) Raman system is developed using 785-nm diode laser, volume-phase technology holographic system, and NIR intensified charge-coupled device (CCD). Raman spectra and first derivative spectra of Rhizoma Dioscoreae are obtained. Raman spectra of Rhizoma Dioscoreae showed three strong characteristic peaks at 477.4cm -1, 863.9cm -1, and 936.0cm -1. The major ingredients are protein, amino acid, starch, polysaccharides and so on, matched with the known basic biochemical composition of Rhizoma Dioscoreae. In the first derivative spectra of Rhizoma Dioscoreae, distinguishing characteristic peaks appeared at 467.674cm -1, 484.603cm -1, 870.37cm -1, 943.368cm -1. Contrasted with Rhizoma Dioscoreae Raman spectra, in 600cm -1 to 800cm -1, 1000cm -1 to 1400cm -1 regions, changes in Rhizoma Dioscoreae Raman first derivative spectra are represented more clearly than Rhizoma Dioscoreae Raman spectra. So Rhizoma Dioscoreae raman first derivative spectra can be an accurate supplementary analysis method to Rhizoma Dioscoreae Raman spectra.

Cosmic Infrared Background From Population III Stars and Its Effect on Spectra of High-z Gamma-Ray Bursts

NASA Technical Reports Server (NTRS)

Kashlinsky, A.

2005-01-01

We discuss the contribution of Population III stars to the near-IR (NIR) cosmic infrared background (CIB) and its effect on spectra of high-z, high-energy gamma-ray bursts (GRBs) and other sources. It is shown that if Population III is composed of massive stars, the claimed NIR CIB excess will be reproduced if only approx. 4% plus or minus 2% of all baryons went through these stars. Regardless of the precise amount of the NIR CIB due to them, they likely left enough photons to provide a large optical depth for high-energy photons from distant GRBs. Observations of such GRBs are expected following the planned launch of NASA's GLAST mission. Detecting such damping in the spectra of high-z GRBs will then provide important information on the emissions from the Population III epoch, and the location of this cutoff may serve as an indicator of the GRBs' redshifts. We also point out the difficulty of unambiguously detecting the CIB part originating from Population III in spectra of low-z blazars.

High Resolution Spectroscopy to Support Atmospheric Measurements

NASA Technical Reports Server (NTRS)

Benner, D. Chris; Venkataraman, Malathy Devi

2000-01-01

The major research activities performed during the cooperative agreement enhanced our spectroscopic knowledge of molecules of atmospheric interest such as carbon dioxide, water vapor, ozone, methane, and carbon monoxide, to name a few. Measurements were made using the NASA Langley Tunable Diode Laser Spectrometer System (TDL) and several Fourier Transform Spectrometer Systems (FTS) around the globe. The results from these studies made remarkable improvements in the line positions and intensities for several molecules, particularly ozone and carbon dioxide in the 2 to 17-micrometer spectral region. Measurements of pressure broadening and pressure induced line shift coefficients and the temperature dependence of pressure broadening and pressure induced line shift coefficients for infrared transitions of ozone, methane, and water vapor were also performed. Results from these studies have been used for retrievals of stratospheric gas concentration profiles from data collected by several Upper Atmospheric Research satellite (UARS) infrared instruments as well as in the analysis of high resolution atmospheric spectra such as those acquired by space-based, ground-based, and various balloon- and aircraft-borne experiments. Our results made significant contributions in several updates of the HITRAN (HIgh resolution TRANsmission) spectral line parameters database. This database enjoys worldwide recognition in research involving diversified scientific fields.

High Resolution Spectroscopy to Support Atmospheric Measurements

NASA Technical Reports Server (NTRS)

Benner, D. Chris; Venkataraman, Malathy Devi

2000-01-01

The major research activities performed during the cooperative agreement enhanced our spectroscopic knowledge of molecules of atmospheric interest such as carbon dioxide, water vapor, ozone, methane, and carbon monoxide, to name a few. Measurements were made using the NASA Langley Tunable Diode Laser Spectrometer System (TDL) and several Fourier Transform Spectrometer Systems (FTS) around the globe. The results from these studies made remarkable improvements in the line positions and intensities for several molecules, particularly ozone and carbon dioxide in the 2 to 17-micrometer spectral region. Measurements of pressure broadening and pressure induced line shift coefficients and the temperature dependence of pressure broadening and pressure induced line shift coefficients for infrared transitions of ozone, methane, and water vapor were also performed. Results from these studies have been used for retrievals of stratospheric gas concentration profiles from data collected by several Upper Atmospheric Research satellite (UARS) infrared instruments as well as in the analysis of high resolution atmospheric spectra such as those acquired by space-based, ground-based, and various balloon-and aircraft-borne experiments. Our results made significant contributions in several updates of the HITRAN (HIgh resolution TRANsmission) spectral line parameters database. This database enjoys worldwide recognition in research involving diversified scientific fields.

An infrared high resolution silicon immersion grating spectrometer for airborne and space missions

NASA Astrophysics Data System (ADS)

Ge, Jian; Zhao, Bo; Powell, Scott; Jiang, Peng; Uzakbaiuly, Berik; Tanner, David

2014-08-01

Broad-band infrared (IR) spectroscopy, especially at high spectral resolution, is a largely unexplored area for the far IR (FIR) and submm wavelength region due to the lack of proper grating technology to produce high resolution within the very constrained volume and weight required for space mission instruments. High resolution FIR spectroscopy is an essential tool to resolve many atomic and molecular lines to measure physical and chemical conditions and processes in the environments where galaxy, star and planets form. A silicon immersion grating (SIG), due to its over three times high dispersion over a traditional reflective grating, offers a compact and low cost design of new generation IR high resolution spectrographs for space missions. A prototype SIG high resolution spectrograph, called Florida IR Silicon immersion grating spectromeTer (FIRST), has been developed at UF and was commissioned at a 2 meter robotic telescope at Fairborn Observatory in Arizona. The SIG with 54.74 degree blaze angle, 16.1 l/mm groove density, and 50x86 mm2 grating area has produced R=50,000 in FIRST. The 1.4-1.8 um wavelength region is completely covered in a single exposure with a 2kx2k H2RG IR array. The on-sky performance meets the science requirements for ground-based high resolution spectroscopy. Further studies show that this kind of SIG spectrometer with an airborne 2m class telescope such as SOFIA can offer highly sensitive spectroscopy with R~20,000-30,000 at 20 to 55 microns. Details about the on-sky measurement performance of the FIRST prototype SIG spectrometer and its predicted performance with the SOFIA 2.4m telescope are introduced.

a Study of Vibrational Mode Coupling in 2-FLUOROETHANOL and 1,2-DIFLUOROETHANE Using High-Resolution Infrared Spectroscopy.

NASA Astrophysics Data System (ADS)

Mork, Steven Wayne

High resolution infrared spectroscopy was used to examine intramolecular vibrational interactions in 2 -fluoroethanol (2FE) and 1,2-difluoroethane (DFE). A high resolution infrared spectrophotometer capable of better than 10 MHz spectral resolution was designed and constructed. The excitation source consists of three lasers: an argon-ion pumped dye laser which pumps a color -center laser. The infrared beam from the color-center laser is used to excite sample molecules which are rotationally and vibrationally cooled in a supersonic molecular beam. Rovibrational excitation of the sample molecules is detected by monitoring the kinetic energy of the molecular beam with a bolometer. The high resolution infrared spectrum of 2FE was collected and analyzed over the 2977-2990 cm^ {-1}^ectral region. This region contains the asymmetric CH stretch on the fluorinated carbon. The spectrum revealed extensive perturbations in the rotational fine structure. Analysis of these perturbations has provided a quantitative measure of selective vibrational mode coupling between the C-H stretch and its many neighboring dark vibrational modes. Interestingly, excitation of the C-H stretch is known to induce a photoisomerization reaction between 2FE's Gg^' and Tt conformers. Implications of the role of mode coupling in the reaction mechanism are also addressed. Similarly, the high resolution infrared spectrum of DFE was collected and analyzed over the 2978-2996 cm ^{-1}^ectral region. This region contains the symmetric combination of asymmetric C-H stretches in DFE. Perturbations in the rotational fine structure indicate vibrational mode coupling to a single dark vibrational state. The dark state is split by approximately 19 cm^{-1} due to tunneling between two identical gauche conformers. The coupling mechanism is largely anharmonic with a minor component of B/C-plane Coriolis coupling. Effects of centrifugal distortion along the molecular A-axis are also observed. The coupled vibrational

Isosbestics in Infrared Aerosol Spectra: Proposed Applications for Remote Sensing.

DTIC Science & Technology

1989-04-01

droplet solutions and chemical reactions if the complex indices of refraction are known. The technique seems most applicable in the Rayleigh regime. Remote ... sensing , Isosbestics, Infrared, Infrared spectra, Atmosphere, Water, Aerosols, Rayleigh regime.

Combining SMOS with visible and near/shortwave/thermal infrared satellite data for high resolution soil moisture estimates

NASA Astrophysics Data System (ADS)

Sánchez-Ruiz, Sergio; Piles, María; Sánchez, Nilda; Martínez-Fernández, José; Vall-llossera, Mercè; Camps, Adriano

2014-08-01

Sensors in the range of visible and near-shortwave-thermal infrared regions can be used in combination with passive microwave observations to provide soil moisture maps at much higher spatial resolution than the original resolution of current radiometers. To do so, a new downscaling algorithm ultimately based on the land surface temperature (LST) - Normalized Difference Vegetation Index (NDVI) - Brightness Temperature (TB) relationship is used, in which shortwave infrared indices are used as vegetation descriptors, instead of the more common near infrared ones. The theoretical basis of those indices, calculated as the normalized ratio of the 1240, 1640 and 2130 nm shortwave infrared (SWIR) bands and the 858 nm near infrared (NIR) band indicate that they are able to provide estimates of the vegetation water content. These so-called water indices extracted from MODIS products, have been used together with MODIS LST, and SMOS TB to improve the spatial resolution of ∼40 km SMOS soil moisture estimates. The aim was to retrieve soil moisture maps with the same accuracy as SMOS, but at the same resolution of the MODIS dataset, i.e., 500 m, which were then compared against in situ measurements from the REMEDHUS network in Spain. Results using two years of SMOS and MODIS data showed a similar performance for the four indices, with slightly better results when using the index derived from the first SWIR band. For the areal-average, a coefficient of correlation (R) of ∼0.61 and ∼0.72 for the morning and afternoon orbits, respectively, and a centered root mean square difference (cRMSD) of ∼0.04 m3 m-3 for both orbits was obtained. A twofold improvement of the current versions of this downscaling approach has been achieved by using more frequent and higher spatial resolution water indexes as vegetation descriptors: (1) the spatial resolution of the resulting soil moisture maps can be enhanced from ∼40 km up to 500 m, and (2) more accurate soil moisture maps (in terms

High resolution broad-band spectroscopy in the NIR using the Triplespec externally dispersed interferometer at the Hale telescope

NASA Astrophysics Data System (ADS)

Erskine, David J.; Edelstein, J.; Sirk, M.; Wishnow, E.; Ishikawa, Y.; McDonald, E.; Shourt, W. V.

2014-07-01

High resolution broad-band spectroscopy at near-infrared wavelengths has been performed using externally dis- persed interferometry (EDI) at the Hale telescope at Mt. Palomar. The EDI technique uses a field-widened Michelson interferometer in series with a dispersive spectrograph, and is able to recover a spectrum with a resolution 4 to 10 times higher than the existing grating spectrograph. This method increases the resolution well beyond the classical limits enforced by the slit width and the detector pixel Nyquist limit and, in principle, decreases the effect of pupil variation on the instrument line-shape function. The EDI technique permits arbi- trarily higher resolution measurements using the higher throughput, lower weight, size, and expense of a lower resolution spectrograph. Observations of many stars were performed with the TEDI interferometer mounted within the central hole of the 200 inch primary mirror. Light from the interferometer was then dispersed by the TripleSpec near-infrared echelle spectrograph. Continuous spectra between 950 and 2450 nm with a resolution as high as ~27,000 were recovered from data taken with TripleSpec at a native resolution of ˜2,700. Aspects of data analysis for interferometric spectral reconstruction are described. This technique has applications in im- proving measurements of high-resolution stellar template spectra, critical for precision Doppler velocimetry using conventional spectroscopic methods. A new interferometer to be applied for this purpose at visible wavelengths is under construction.

Retrieval of trace gas concentrations over Summit Station, Greenland using moderate-resolution spectral infrared radiances

NASA Astrophysics Data System (ADS)

Bahramvash Shams, S.; Walden, V. P.; Turner, D. D.

2017-12-01

Measurements of trace gases at high temporal resolution are important for understanding variations and trends at high latitudes. Trace gases over Greenland can be influenced by both long-range transport from pollution sources as well as local chemical processes. Satellite retrievals are an important data source in the polar regions, but accurate ground-based measurements are needed for proper validation, especially in data sparse regions. A moderate-resolution (0.5 cm-1) Fourier transform infrared spectrometer (FTIR), the Polar Atmospheric Emitted Radiance Interferometer (P-AERI), has been operated at Summit Station, Greenland as part of the ICECAPS project since 2010. In this study, trace gas concentrations, including ozone, nitrous oxide, and methane are retrieved using different optimal estimation retrieval codes. We first present results of retrieved gases using synthetic spectra (from a radiative transfer model) that mimic P-AERI measurements to evaluate systematic errors in the inverse models. We also retrieve time series of trace gas concentrations during periods of clear skies over Summit. We investigate the amount of vertical information that can be obtained with moderate resolution spectra for each of the trace gases, and also the impact of the seasonal variation of atmospheric water vapor on the retrievals. Data from surface observations and ozonesondes obtained by the NOAA Global Monitoring Division are used to improve the retrievals and as validation.

Long-Term Trends in the Concentrations of SF6, CHClF2, and COF2 in the Lower Stratosphere from Analysis of High-Resolution Infrared Solar Occultation Spectra

NASA Technical Reports Server (NTRS)

Rinsland, C. P.; Goldman, A.; Murcray, F. J.; Blatherwick, R. D.; Kosters, J. J.; Murcray, D. G.; Sze, N. D.; Massie, S. T.

1990-01-01

Long-term trends in the concentrations of SF6, CHClF2 (CFC-22), and COF2 in the lower stratosphere have been derived from analysis of ca. 1980 and more recent infrared solar occultation spectra recorded near 32 deg N latitude at approx. 0.02/ cm resolution. Consistent sets of line parameters and spectral calibration methods have been used in the retrievals to minimize systematic error effects. Quoted error limits are 1 sigma estimated precisions. The SF6 and CHClF2 results are based on spectra recorded by balloon-borne interferometers in March 1981 and June 1988 and a comparison of these results with the Atmospheric Trace Molecule Spectroscopy (ATMOS) Experiment/Spacelab 3 measurements obtained in May 1985 near 30 deg N latitude. In the 13-18 km altitude range the mean measured SF6 mixing ratio in parts per trillion by volume (pptv) increased from 1.17 +/- 0.21 in March 1981 to 2.02 +/- 0.20 pptv in June 1988, and the CHClF2 mixing ratio below 15 km altitude increased from 51 +/- 8 pptv in March 1981 to 102 +/- 10 pptv in June 1988. The CHClF2 retrievals used new empirical CHClF2 line parameters derived from 0.03/cm resolution laboratory spectra recorded at six temperatures between 203 and 293 K; the derived mixing ratios are approx. 30% higher than obtained with earlier sets of line parameters, thereby removing a large discrepancy noted previously between IR and in situ measurements of CHClF2. Assuming an exponential growth model for fitting the trends, SF6 and CHClF2 mean increase rates of 7.4% +/- 1.9% and 9.4% +/- 1.3% /year, are obtained, respectively, which correspond to cumulative increases by factors of approx. 1.7 and -2.0 in the concentrations of these gases over the 7.2-year measurement period. Analysis of spectra recorded in October 1979 and April 1989 yields COF2 volume mixing ratios that are respectively 0.44 +/- 0.17 and 1.21 +/- 0.24 times the ATMOS/Spacelab 3 values, from which an average COF2 increase rate of 10.3 +/- 1.8%/ year over this time

High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3-micrometers Region: Role of Periphery

NASA Technical Reports Server (NTRS)

Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

2017-01-01

In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3-micrometers absorption band. To this purpose we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 per cm range. The experimental spectra are compared with standard harmonic calculations, and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3-micrometers region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive dataset of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly-condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3-micrometers band, and on features such as the two-component emission character of this band and the 3-micrometers emission plateau.

On the Use of Fourier Transform Infrared (FT-IR) Spectroscopy and Synthetic Calibration Spectra to Quantify Gas Concentrations in a Fischer-Tropsch Catalyst System

NASA Technical Reports Server (NTRS)

Ferguson, Frank T.; Johnson, Natasha M.; Nuth, Joseph A., III

2015-01-01

One possible origin of prebiotic organic material is that these compounds were formed via Fischer-Tropsch-type (FTT) reactions of carbon monoxide and hydrogen on silicate and oxide grains in the warm, inner-solar nebula. To investigate this possibility, an experimental system has been built in which the catalytic efficiency of different grain-analog materials can be tested. During such runs, the gas phase above these grain analogs is sampled using Fourier transform infrared (FT-IR) spectroscopy. To provide quantitative estimates of the concentration of these gases, a technique in which high-resolution spectra of the gases are calculated using the high-resolution transmission molecular absorption (HITRAN) database is used. Next, these spectra are processed via a method that mimics the processes giving rise to the instrumental line shape of the FT-IR spectrometer, including apodization, self-apodization, and broadening due to the finite resolution. The result is a very close match between the measured and computed spectra. This technique was tested using four major gases found in the FTT reactions: carbon monoxide, methane, carbon dioxide, and water. For the ranges typical of the FTT reactions, the carbon monoxide results were found to be accurate to within 5% and the remaining gases accurate to within 10%. These spectra can then be used to generate synthetic calibration data, allowing the rapid computation of the gas concentrations in the FTT experiments.

On the Use of Fourier Transform Infrared (FT-IR) Spectroscopy and Synthetic Calibration Spectra to Quantify Gas Concentrations in a Fischer-Tropsch Catalyst System.

PubMed

Ferguson, Frank T; Johnson, Natasha M; Nuth, Joseph A

2015-10-01

One possible origin of prebiotic organic material is that these compounds were formed via Fischer-Tropsch-type (FTT) reactions of carbon monoxide and hydrogen on silicate and oxide grains in the warm, inner-solar nebula. To investigate this possibility, an experimental system has been built in which the catalytic efficiency of different grain-analog materials can be tested. During such runs, the gas phase above these grain analogs is sampled using Fourier transform infrared (FT-IR) spectroscopy. To provide quantitative estimates of the concentration of these gases, a technique in which high-resolution spectra of the gases are calculated using the High-Resolution Transmission Molecular Absorption (HITRAN) database is used. Next, these spectra are processed via a method that mimics the processes giving rise to the instrumental line shape of the FT-IR spectrometer, including apodization, self-apodization, and broadening due to the finite resolution. The result is a very close match between the measured and computed spectra. This technique was tested using four major gases found in the FTT reactions: carbon monoxide, methane, carbon dioxide, and water. For the ranges typical of the FTT reactions, the carbon monoxide results were found to be accurate to within 5% and the remaining gases accurate to within 10%. These spectra can then be used to generate synthetic calibration data, allowing the rapid computation of the gas concentrations in the FTT experiments.

A near-infrared SETI experiment: A multi-time resolution data analysis

NASA Astrophysics Data System (ADS)

Tallis, Melisa; Maire, Jerome; Wright, Shelley; Drake, Frank D.; Duenas, Andres; Marcy, Geoffrey W.; Stone, Remington P. S.; Treffers, Richard R.; Werthimer, Dan; NIROSETI

2016-06-01

We present new post-processing routines which are used to detect very fast optical and near-infrared pulsed signals using the latest NIROSETI (Near-Infrared Optical Search for Extraterrestrial Intelligence) instrument. NIROSETI was commissioned in 2015 at Lick Observatory and searches for near-infrared (0.95 to 1.65μ) nanosecond pulsed laser signals transmitted by distant civilizations. Traditional optical SETI searches rely on analysis of coincidences that occur between multiple detectors at a fixed time resolution. We present a multi-time resolution data analysis that extends our search from the 1ns to 1ms range. This new feature greatly improves the versatility of the instrument and its search parameters for near-infrared SETI. We aim to use these algorithms to assist us in our search for signals that have varying duty cycles and pulse widths. We tested the fidelity and robustness of our algorithms using both synthetic embedded pulsed signals, as well as data from a near-infrared pulsed laser installed on the instrument. Applications of NIROSETI are widespread in time domain astrophysics, especially for high time resolution transients, and astronomical objects that emit short-duration high-energy pulses such as pulsars.

Kinetic energy spectra, vertical resolution and dissipation in high-resolution atmospheric simulations.

NASA Astrophysics Data System (ADS)

Skamarock, W. C.

2017-12-01

We have performed week-long full-physics simulations with the MPAS global model at 15 km cell spacing using vertical mesh spacings of 800, 400, 200 and 100 meters in the mid-troposphere through the mid-stratosphere. We find that the horizontal kinetic energy spectra in the upper troposphere and stratosphere does not converge with increasing vertical resolution until we reach 200 meter level spacing. Examination of the solutions indicates that significant inertia-gravity waves are not vertically resolved at the lower vertical resolutions. Diagnostics from the simulations indicate that the primary kinetic energy dissipation results from the vertical mixing within the PBL parameterization and from the gravity-wave drag parameterization, with smaller but significant contributions from damping in the vertical transport scheme and from the horizontal filters in the dynamical core. Most of the kinetic energy dissipation in the free atmosphere occurs within breaking mid-latitude baroclinic waves. We will briefly review these results and their implications for atmospheric model configuration and for atmospheric dynamics, specifically that related to the dynamics associated with the mesoscale kinetic energy spectrum.

Full Spatial Resolution Infrared Sounding Application in the Preconvection Environment

NASA Astrophysics Data System (ADS)

Liu, C.; Liu, G.; Lin, T.

2013-12-01

Advanced infrared (IR) sounders such as the Atmospheric Infrared Sounder (AIRS) and Infrared Atmospheric Sounding Interferometer (IASI) provide atmospheric temperature and moisture profiles with high vertical resolution and high accuracy in preconvection environments. The derived atmospheric stability indices such as convective available potential energy (CAPE) and lifted index (LI) from advanced IR soundings can provide critical information 1 ; 6 h before the development of severe convective storms. Three convective storms are selected for the evaluation of applying AIRS full spatial resolution soundings and the derived products on providing warning information in the preconvection environments. In the first case, the AIRS full spatial resolution soundings revealed local extremely high atmospheric instability 3 h ahead of the convection on the leading edge of a frontal system, while the second case demonstrates that the extremely high atmospheric instability is associated with the local development of severe thunderstorm in the following hours. The third case is a local severe storm that occurred on 7-8 August 2010 in Zhou Qu, China, which caused more than 1400 deaths and left another 300 or more people missing. The AIRS full spatial resolution LI product shows the atmospheric instability 3.5 h before the storm genesis. The CAPE and LI from AIRS full spatial resolution and operational AIRS/AMSU soundings along with Geostationary Operational Environmental Satellite (GOES) Sounder derived product image (DPI) products were analyzed and compared. Case studies show that full spatial resolution AIRS retrievals provide more useful warning information in the preconvection environments for determining favorable locations for convective initiation (CI) than do the coarser spatial resolution operational soundings and lower spectral resolution GOES Sounder retrievals. The retrieved soundings are also tested in a regional data assimilation WRF 3D-var system to evaluate the

Availability of a library of infrared (2.1-25.0 microns) mineral spectra

NASA Technical Reports Server (NTRS)

Salisbury, John W.; Vergo, Norma; Walter, Louis S.

1989-01-01

All previously published libraries of infrared mineral spectra are in the form of transmitance. Reflectance spectra are, however, more useful for remote sensing and some potential laboratory applications, such as the use of an infrared microscope for mineral identification on polished sections. This note points out that construction of a new library of infrared (2.1-25.0 microns) mineral spectra is in progress. Both transmittance and reflectance measurements of a selection of 63 different, well-characterized minerals have been published to date. These data are available in both hard copy and digital form.

Infrared spectra of CO2-doped hydrogen clusters, (H2)N-CO2.

PubMed

McKellar, A R W

2012-03-07

Clusters of para-H(2) and/or ortho-H(2) containing a single carbon dioxide molecule are studied by high resolution infrared spectroscopy in the 2300 cm(-1) region of the CO(2) ν(3) fundamental band. The (H(2))(N)-CO(2) clusters are formed in a pulsed supersonic jet expansion from a cooled nozzle and probed using a rapid scan tunable diode laser. Simple symmetric rotor type spectra are observed with little or no resolved K-structure, and prominent Q-branch features for ortho-H(2) but not para-H(2). Observed rotational constants and vibrational shifts are reported for ortho-H(2) up to N = 7 and para-H(2) up to N = 15, with the N > 7 assignments only made possible with the help of theoretical simulations. The para-H(2) cluster with N = 12 shows clear evidence for superfluid effects, in good agreement with theory. The presence of larger clusters with N > 15 is evident in the spectra, but specific assignments are not possible. Mixed para- + ortho-H(2) cluster transitions are well predicted by linear interpolation between corresponding pure cluster line positions. © 2012 American Institute of Physics

Application of the Lucy–Richardson Deconvolution Procedure to High Resolution Photoemission Spectra

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

Rameau, J.; Yang, H.-B.; Johnson, P.D.

2010-07-01

Angle-resolved photoemission has developed into one of the leading probes of the electronic structure and associated dynamics of condensed matter systems. As with any experimental technique the ability to resolve features in the spectra is ultimately limited by the resolution of the instrumentation used in the measurement. Previously developed for sharpening astronomical images, the Lucy-Richardson deconvolution technique proves to be a useful tool for improving the photoemission spectra obtained in modern hemispherical electron spectrometers where the photoelectron spectrum is displayed as a 2D image in energy and momentum space.

Cis- and trans-perfluorodecalin: Infrared spectra, radiative efficiency and global warming potential

NASA Astrophysics Data System (ADS)

Le Bris, Karine; DeZeeuw, Jasmine; Godin, Paul J.; Strong, Kimberly

2017-12-01

Perfluorodecalin (PFD) is a molecule used in various medical applications for its capacity to dissolve gases. This potent greenhouse gas was detected for the first time in the atmosphere in 2005. We present infrared absorption cross-section spectra of a pure vapour of cis- and trans-perfluorodecalin at a resolution of 0.1 cm-1. Measurements were performed in the 560-3000 cm-1 spectral range using Fourier transform spectroscopy. The spectra have been compared with previous experimental data and theoretical calculations by density functional theory. The new experimental absorption cross-sections have been used to calculate a lifetime-corrected radiative efficiency at 300 K of 0.62 W m-2 ppb-1 and 0.57 W.m-2.ppb-1 for the cis and trans isomers respectively. This leads to a 100-year time horizon global warming potential of 8030 for cis-PFD and 7440 for trans-PFD.

Reduction of chemical formulas from the isotopic peak distributions of high-resolution mass spectra.

PubMed

Roussis, Stilianos G; Proulx, Richard

2003-03-15

A method has been developed for the reduction of the chemical formulas of compounds in complex mixtures from the isotopic peak distributions of high-resolution mass spectra. The method is based on the principle that the observed isotopic peak distribution of a mixture of compounds is a linear combination of the isotopic peak distributions of the individual compounds in the mixture. All possible chemical formulas that meet specific criteria (e.g., type and number of atoms in structure, limits of unsaturation, etc.) are enumerated, and theoretical isotopic peak distributions are generated for each formula. The relative amount of each formula is obtained from the accurately measured isotopic peak distribution and the calculated isotopic peak distributions of all candidate formulas. The formulas of compounds in simple spectra, where peak components are fully resolved, are rapidly determined by direct comparison of the calculated and experimental isotopic peak distributions. The singular value decomposition linear algebra method is used to determine the contributions of compounds in complex spectra containing unresolved peak components. The principles of the approach and typical application examples are presented. The method is most useful for the characterization of complex spectra containing partially resolved peaks and structures with multiisotopic elements.

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.

Gas-phase infrared spectra of vinyl selenol and vinyl tellurol.

PubMed

Benidar, Abdessamad; Khater, Brahim; Guillemin, Jean-Claude; Gámez, José A; Yáñez, Manuel

2009-11-19

The infrared spectra (3500-500 cm(-1)) of gaseous vinyl selenol and vinyl tellurol have been recorded at 0.1 cm(-1) resolution. For the latter the spectra were obtained at room temperature, but for the former a temperature of -40 degrees C was required because of the chemical instability of vinyl selenol at room temperature. To compensate the very weak vapor pressure of vinyl tellurol at room temperature, a long optical path up to 136 m was necessary to record its spectrum. B3LYP density functional theory (DFT) calculations have been performed to assign the different absorption bands. Since an unambiguous assignment of the absorption bands requires a precise knowledge on the relative abundance of the syn and gauche rotamers of these compounds, their relative energies and their anharmonic vibrational frequencies were obtained using a very extended Def2-QZVP basis set. Two rotamers, the syn, which is planar, and a nonplanar gauche, were found to be local minima for both compounds. The gauche rotamer presents two degenerate conformers, which differ by the position of the SeH (TeH) hydrogen atom above or below the molecular plane. Our theoretical results are in good agreement with the main features of the experimental spectra. Fundamental bands and some combination bands of vinyl selenol and vinyl tellurol were assigned and compared with those of vinyl alcohol and vinyl thiol, whose spectra had been reported previously in the literature.

Gas-Phase Infrared Spectra of Vinyl Selenol and Vinyl Tellurol

NASA Astrophysics Data System (ADS)

Benidar, Abdessamad; Khater, Brahim; Guillemin, Jean-Claude; Gámez, José A.; Yáñez, Manuel

2009-10-01

The infrared spectra (3500-500 cm-1) of gaseous vinyl selenol and vinyl tellurol have been recorded at 0.1 cm-1 resolution. For the latter the spectra were obtained at room temperature, but for the former a temperature of -40 °C was required because of the chemical instability of vinyl selenol at room temperature. To compensate the very weak vapor pressure of vinyl tellurol at room temperature, a long optical path up to 136 m was necessary to record its spectrum. B3LYP density functional theory (DFT) calculations have been performed to assign the different absorption bands. Since an unambiguous assignment of the absorption bands requires a precise knowledge on the relative abundance of the syn and gauche rotamers of these compounds, their relative energies and their anharmonic vibrational frequencies were obtained using a very extended Def2-QZVP basis set. Two rotamers, the syn, which is planar, and a nonplanar gauche, were found to be local minima for both compounds. The gauche rotamer presents two degenerate conformers, which differ by the position of the SeH (TeH) hydrogen atom above or below the molecular plane. Our theoretical results are in good agreement with the main features of the experimental spectra. Fundamental bands and some combination bands of vinyl selenol and vinyl tellurol were assigned and compared with those of vinyl alcohol and vinyl thiol, whose spectra had been reported previously in the literature.

High resolution FTIR spectroscopy of fluoroform 12CHF3 and critical analysis of the infrared spectrum from 25 to 1500 cm-1

NASA Astrophysics Data System (ADS)

Albert, S.; Bauerecker, S.; Bekhtereva, E. S.; Bolotova, I. B.; Hollenstein, H.; Quack, M.; Ulenikov, O. N.

2018-05-01

We report high-resolution (? 0.001 cm-1) Fourier Transform Infrared spectra of fluoroform (CHF3) including the pure rotational (far infrared or THz) range (28-65 cm-1), the ν3 fundamental (? = 700.099 cm-1), as well as the associated "hot' band 2ν3 - ν3 (? = 699.295 cm-1) and the 'atmospheric window' range 1100-1250 cm-1 containing the strongly coupled polyad of the levels ν2, ν5 and ν3 + ν6, at room temperature and at 120 K using the collisional cooling cell coupled to our Bruker IFS 125 HR prototype (ZP2001) spectrometer and Bruker IFS 125 HR ETH-SLS prototype at the Swiss Light Source providing intense synchrotron radiation. The pure rotational spectra provide new information about the vibrational ground state of CHF3, which is useful for further analysis of excited vibrational states. The ν3 fundamental band is re-investigated together with the corresponding 'hot' band 2ν3 - ν3 leading to an extension of the existing line lists up to 4430 transitions with ? = 66 for ν3 and 1040 transitions with ? = 43 for 2ν3 - ν3. About 6000 transitions were assigned to rovibrational levels in the polyad ν2/ν5/ν3 + ν6 with ? = 63 for ν2 (? = 1141.457 cm-1), ? = 63 for ν5 (? = 1157.335 cm-1) and ? = 59 for ν3 + ν6 (? = 1208.771 cm-1)(? = ? in each case). The resonance interactions between the ν2, ν5 and ν3 + ν6 states have been taken into account providing an accurate set of effective hamiltonian parameters, which reproduce the experimental results with an accuracy close to the experimental uncertainties (with a root mean square deviation drms = 0.00025 cm-1). The analysis is further extended to the ν4 fundamental (? = 1377.847 cm-1) interacting with 2ν3 (? = 1399.394 cm-1). The results are discussed in relation to the importance of understanding the spectra of CHF3 as a greenhouse gas and as part of our large effort to measure and understand the complete spectrum of CHF3 from the far-infrared to the near-infrared as a prototype for intramolecular

WINERED: a warm near-infrared high-resolution spectrograph

NASA Astrophysics Data System (ADS)

Ikeda, Yuji; Kobayashi, Naoto; Kondo, Sohei; Yasui, Chikako; Motohara, Kentaro; Minami, Atsushi

2006-06-01

We are developing a new near-infrared high-resolution (R max = 100,000) and high-sensitive spectrograph WINERED, which is specifically customized for short NIR bands at 0.9-1.35 μm. WINERED employs the following two novel approaches in the optical system: (1) portable design with a ZnSe immersion grating and (2) warm optics without any cold stops. These concepts result in several essential advantages as follows: easy to build, align, and maintain; these result in a short development time and low cost. WINERED employs a VIRGO HgCdTe 2k × 2k array by Raytheon as the detector. We are developing our own array control system that aims at a low readout noise (< 10 e -) with a readout time of about 3 sec. Our goal is to achieve a high sensitivity of R = 100,000 for a NIR spectroscopy of 15 mag and 17 mag point sources with 4 m and 10 m telescopes, respectively. We have just finalized the optical design and produced a prototype electronics, which are described in the companion papers by Yasui et al. and Kondo et al., respectively. We plan to complete this instrument by the end of 2008 and hope to attach it to various 4 to 10 m telescopes as a PI-type instrument.

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.

High-resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3 μm Region: Role of Periphery

NASA Astrophysics Data System (ADS)

Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

2016-11-01

In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3 μm absorption band. For this purpose, we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 cm-1 range. The experimental spectra are compared with standard harmonic calculations and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3 μm region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive data set of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3 μm band, and on features such as the two-component emission character of this band and the 3 μm emission plateau.

Spectra Transfer Between a Fourier Transform Near-Infrared Laboratory and a Miniaturized Handheld Near-Infrared Spectrometer.

PubMed

Hoffmann, Uwe; Pfeifer, Frank; Hsuing, Chang; Siesler, Heinz W

2016-05-01

The aim of this contribution is to demonstrate the transfer of spectra that have been measured on two different laboratory Fourier transform near-infrared (FT-NIR) spectrometers to the format of a handheld instrument by measuring only a few samples with both spectrometer types. Thus, despite the extreme differences in spectral range and resolution, spectral data sets that have been collected and quantitative as well as qualitative calibrations that have been developed thereof, respectively, over a long period on a laboratory instrument can be conveniently transferred to the handheld system. Thus, the necessity to prepare completely new calibration samples and the effort required to develop calibration models when changing hardware platforms is minimized. The enabling procedure is based on piecewise direct standardization (PDS) and will be described for the data sets of a quantitative and a qualitative application case study. For this purpose the spectra measured on the FT-NIR laboratory spectrometers were used as "master" data and transferred to the "target" format of the handheld instrument. The quantitative test study refers to transmission spectra of three-component liquid solvent mixtures whereas the qualitative application example encompasses diffuse reflection spectra of six different current polymers. To prove the performance of the transfer procedure for quantitative applications, partial least squares (PLS-1) calibrations were developed for the individual components of the solvent mixtures with spectra transferred from the master to the target instrument and the cross-validation parameters were compared with the corresponding parameters obtained for spectra measured on the master and target instruments, respectively. To test the retention of the discrimination ability of the transferred polymer spectra sets principal component analyses (PCAs) were applied exemplarily for three of the six investigated polymers and their identification was demonstrated by

High-Resolution Infrared Spectrum of Monoiodoacetylene Between 2000 and 3000 cm -1

NASA Astrophysics Data System (ADS)

Ahonen, Anne-Maaria; Ahonen, Tarmo; Alanko, Seppo

1998-09-01

The high-resolution infrared spectrum of monoiodoacetylene measured with a Bruker IFS 120 HR Fourier transform spectrometer in the spectral range of 2000-3000 cm-1has been studied in detail. The strongest bands observed in the wavenumber region investigated are the C-C stretching fundamental ν2(2034-2082 cm-1) and the accompanying hot bands of the types ν2+ νn- νn, wheren= 3, 4, or 5, associated with the lowest stretching statev3= 1 and with the low-lying bending statesv4= 1 andv5= 1, 2, respectively. The combination bands of the types ν2+ νn, wherenis as above, starting direct from the ground state have also been observed. In addition, the weak overtone band 2ν2(4081-4121 cm-1) has been measured to study the anharmonicity of the C-C stretching mode. The new, more accurate values for the ground state rotational constants have been derived by combining the ground state combination differences calculated from our IR data available in the present work as well as in our previous investigations concerning the HCCI molecule to the accurate MW transitions from the literature. The rotational structures of the overtone levelv2= 2 and the combination levelsv2=vn= 1, wherenis as above, have been investigated by analyzing the observed spectra with a model including various Fermi- andl-type resonances. As a result, the values for the harmonic frequency ω02and the anharmonicity constantsx22,x23,x24, andx25are determined.

High-resolution soft X-ray spectra of Scorpius X-1 - The structure of circumsource accreting material

NASA Technical Reports Server (NTRS)

Kahn, S. M.; Seward, F. D.; Chlebowski, T.

1984-01-01

Four observations of Scorpius X-1 with the Objective Grating Spectrometer of the Einstein Observatory have provided high-resolution spectra (lambda/Delta lambda = approximately 20-50) in the wavelength range 7-46 A. The spectra reveal the presence of absorption structure due to oxygen, nitrogen, and iron, and variable emission structure associated with ionized iron and nitrogen. The strengths of these features suggest that the N/O abundance ratio in the absorbing and line emitting gas is anomalously high, which might indicate that these spectral components are associated with processed material, probably accreting matter transferred from the surface of an evolved companion. Constraints on the inclination of the system, however, imply that this cool, dense, accreting material must be well out of the plane of the binary system. Possible models for the origin and nature of this circumsource medium are discussed. An extensive discussion of the calibration of the Objective Grating Spectrometer and of the analysis of spectra acquired by that instrument is also provided.

High-resolution imaging and near-infrared spectroscopy of penumbral decay

NASA Astrophysics Data System (ADS)

Verma, M.; Denker, C.; Balthasar, H.; Kuckein, C.; Rezaei, R.; Sobotka, M.; Deng, N.; Wang, H.; Tritschler, A.; Collados, M.; Diercke, A.; González Manrique, S. J.

2018-06-01

Aims: Combining high-resolution spectropolarimetric and imaging data is key to understanding the decay process of sunspots as it allows us to scrutinize the velocity and magnetic fields of sunspots and their surroundings. Methods: Active region NOAA 12597 was observed on 2016 September 24 with the 1.5-meter GREGOR solar telescope using high-spatial-resolution imaging as well as imaging spectroscopy and near-infrared (NIR) spectropolarimetry. Horizontal proper motions were estimated with local correlation tracking, whereas line-of-sight (LOS) velocities were computed with spectral line fitting methods. The magnetic field properties were inferred with the "Stokes Inversions based on Response functions" (SIR) code for the Si I and Ca I NIR lines. Results: At the time of the GREGOR observations, the leading sunspot had two light bridges indicating the onset of its decay. One of the light bridges disappeared, and an elongated, dark umbral core at its edge appeared in a decaying penumbral sector facing the newly emerging flux. The flow and magnetic field properties of this penumbral sector exhibited weak Evershed flow, moat flow, and horizontal magnetic field. The penumbral gap adjacent to the elongated umbral core and the penumbra in that penumbral sector displayed LOS velocities similar to granulation. The separating polarities of a new flux system interacted with the leading and central part of the already established active region. As a consequence, the leading spot rotated 55° clockwise over 12 h. Conclusions: In the high-resolution observations of a decaying sunspot, the penumbral filaments facing the flux emergence site contained a darkened area resembling an umbral core filled with umbral dots. This umbral core had velocity and magnetic field properties similar to the sunspot umbra. This implies that the horizontal magnetic fields in the decaying penumbra became vertical as observed in flare-induced rapid penumbral decay, but on a very different time-scale.

NLTE ANALYSIS OF HIGH-RESOLUTION H -BAND SPECTRA. II. NEUTRAL MAGNESIUM

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

Zhang, Junbo; Shi, Jianrong; Liu, Chao

Aiming at testing the validity of our magnesium atomic model and investigating the effects of non-local thermodynamical equilibrium (NLTE) on the formation of the H -band neutral magnesium lines, we derive the differential Mg abundances from selected transitions for 13 stars either adopting or relaxing the assumption of local thermodynamical equilibrium (LTE). Our analysis is based on high-resolution and high signal-to-noise ratio H -band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) and optical spectra from several instruments. The absolute differences between the Mg abundances derived from the two wavelength bands are always less than 0.1 dex inmore » the NLTE analysis, while they are slightly larger for the LTE case. This suggests that our Mg atomic model is appropriate for investigating the NLTE formation of the H -band Mg lines. The NLTE corrections for the Mg i H -band lines are sensitive to the surface gravity, becoming larger for smaller log g values, and strong lines are more susceptible to departures from LTE. For cool giants, NLTE corrections tend to be negative, and for the strong line at 15765 Å they reach −0.14 dex in our sample, and up to −0.22 dex for other APOGEE stars. Our results suggest that it is important to include NLTE corrections in determining Mg abundances from the H -band Mg i transitions, especially when strong lines are used.« less

Stratospheric and mesospheric pressure-temperature profiles from rotational analysis of CO2 lines in atmospheric trace molecule spectroscopy/ATLAS 1 infrared solar occultation spectra

NASA Technical Reports Server (NTRS)

Stiller, G. P.; Gunson, M. R.; Lowes, L. L.; Abrams, M. C.; Raper, O. F.; Farmer, C. B.; Zander, R.; Rinsland, C. P.

1995-01-01

A simple, classical, and expedient method for the retrieval of atmospheric pressure-temperature profiles has been applied to the high-resolution infrared solar absorption spectra obtained with the atmospheric trace molecule spectroscopy (ATMOS) instrument. The basis for this method is a rotational analysis of retrieved apparent abundances from CO2 rovibrational absorption lines, employing existing constituent concentration retrieval software used in the analysis of data returned by ATMOS. Pressure-temperature profiles derived from spectra acquired during the ATLAS 1 space shuttle mission of March-April 1992 are quantitatively evaluated and compared with climatological and meteorological data as a means of assessing the validity of this approach.

High Resolution Transmission Measurements of the Atmosphere in the Infrared.

DTIC Science & Technology

1978-04-28

modifications to the various spect rorn et r ic installations , cu r r en t l y operated to obtain very hi g h resolution solar spectra in the in f r a...record the solar spectrum in the ~‘. 3000 to ~ 10 , 000 A reg ion , has also been equipped with an InSb detector to recorc various series of spectra near...in~ s c o n c e r n i n & HF , HC 1, also met hy l-ch lor ide (CH 3C1), e t c . . . L t h e r s tudies oased on our i n f r a r e d solar ou se

Multivariate classification of infrared spectra of cell and tissue samples

DOEpatents

Haaland, David M.; Jones, Howland D. T.; Thomas, Edward V.

1997-01-01

Multivariate classification techniques are applied to spectra from cell and tissue samples irradiated with infrared radiation to determine if the samples are normal or abnormal (cancerous). Mid and near infrared radiation can be used for in vivo and in vitro classifications using at least different wavelengths.

High-resolution Fourier transform infrared synchrotron spectroscopy of the NO2 in-plane rock band of nitromethane

NASA Astrophysics Data System (ADS)

Dawadi, Mahesh B.; Twagirayezu, Sylvestre; Perry, David S.; Billinghurst, Brant E.

2015-09-01

The high-resolution rotationally resolved Fourier-transform infrared spectrum of the NO2 in-plane rock band (440-510 cm-1) of nitromethane (CH3NO2) has been recorded using the Far-Infrared Beamline at the Canadian Light Source, with a resolution of 0.00096 cm-1. About 1773 transitions reaching the upper state levels m‧ = 0; Ka‧ ⩽ 7;J‧ ⩽ 50 have been assigned using an automated ground-state combination difference program together with the traditional Loomis-Wood approach. These data from the lowest torsional state, m‧ = 0, were fit using the six-fold torsion-rotation program developed by Ilyushin et al. (2010). The analysis reveals that the rotational energy level structure in the upper vibrational state is similar to that of the ground vibrational state, but the sign and magnitude of high-order constants are significantly changed suggesting the presence of multiple perturbations.

High Resolution Infrared Spectroscopy of [1.1.1] Propellane

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

Kirkpatrick, Robynne W.; Masiello, Tony; Jariyasopit, Narumol

2008-01-08

The infrared spectrum of [1.1.1]propellane has been recorded at high resolution (0.002 cm-1) with individual rovibrational lines resolved for the first time. This initial report presents the ground state constants for this molecule determined from the analysis of five of the eight infrared-allowed fundamentals v 9(e'), v 10(e'), v 12(e'), v 14(a 2''), v 15(a 2''), as well as of several combination bands. In nearly all cases it was found that the upper states of the transitions exhibit some degree of perturbation but, by use of the combination difference method, the assigned frequencies provided over 4000 consistent ground state differencemore » values. Analysis of these gave for the parameters of the ground state the following values, in cm -1: B 0 = 0.28755833(14), D J = 1.1313(5)x10 -7, D JK = -1.2633(7)x10 -7, H J = 0.72(4)x10 -13, H JK = -2.24(13)x10 -13, and H KJ = 2.25(15)x10 -13, where the numbers in parentheses indicate twice the uncertainties in the last quoted digit(s) of the parameters. Gaussian ab initio calculations, especially with the computed anharmonic corrections to some of the spectroscopic parameters, assisted in the assignments of the bands and also provided information on the electron distribution in the bridge-head carbon-carbon bond.« less

Examinations of the matrix isolation fourier transform infrared spectra of organic compounds: Part XII

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

Coleman, W. M., III; Gordon, B. M.; Lawrence, B. M.

1989-02-01

Matrix isolation Fourier transform infrared spectra (MI/FT-IR), massspectra (MS), carbon-13 Nuclear Magnetic Resonance (/sup 13/C-NMR) spectra,condensed-phase infrared spectra, and vapor-phase infrared (IR)spectra are presented for a series of terpene compounds. Subtle differencesin positional and configurational isomers commonly found withterpenes could be easily detected by the MI/FT-IR spectra. The resultsare comparable in some aspects to those obtainable from /sup 13/C-NMR andthin-film IR; however, most importantly, they are acquired at the lownanogram level for MI/FT-IR, as compared to the milligram level forthe other techniques. These results represent an advance in the technologyavailable for the analysis of complex mixtures such as essential oilscontainingmore » terpene-like molecules.« less

A high-resolution near-infrared extraterrestrial solar spectrum derived from ground-based Fourier transform spectrometer measurements

NASA Astrophysics Data System (ADS)

Menang, Kaah P.; Coleman, Marc D.; Gardiner, Tom D.; Ptashnik, Igor V.; Shine, Keith P.

2013-06-01

A detailed spectrally resolved extraterrestrial solar spectrum (ESS) is important for line-by-line radiative transfer modeling in the near-IR. Very few observationally based high-resolution ESS are available in this spectral region. Consequently, the theoretically calculated ESS by Kurucz has been widely adopted. We present the CAVIAR (Continuum Absorption at Visible and Infrared Wavelengths and its Atmospheric Relevance) ESS, which is derived using the Langley technique applied to calibrated observations using a ground-based high-resolution Fourier transform spectrometer (FTS) in atmospheric windows from 2000 to 10,000 cm-1 (1-5 µm). There is good agreement between the strengths and positions of solar lines between the CAVIAR and the satellite-based Atmospheric Chemistry Experiment-FTS ESS, in the spectral region where they overlap, and good agreement with other ground-based FTS measurements in two near-IR windows. However, there are significant differences in the structure between the CAVIAR ESS and spectra from semiempirical models. In addition, we found a difference of up to 8% in the absolute (and hence the wavelength-integrated) irradiance between the CAVIAR ESS and that of Thuillier et al., which was based on measurements from the Atmospheric Laboratory for Applications and Science satellite and other sources. In many spectral regions, this difference is significant, because the coverage factor k = 2 (or 95% confidence limit) uncertainties in the two sets of observations do not overlap. Because the total solar irradiance is relatively well constrained, if the CAVIAR ESS is correct, then this would indicate an integrated "loss" of solar irradiance of about 30 W m-2 in the near-IR that would have to be compensated by an increase at other wavelengths.

Far-infrared reflectance spectra of optical black coatings

NASA Technical Reports Server (NTRS)

Smith, S. M.

1983-01-01

Far-infrared specular reflectance spectra of six optically black coatings near normal incidence are presented. The spectra were obtained using nine bandpass transmission filters in the wavelength range between 12 and 300 microns. Data on the construction, thickness, and rms surface roughness of the coatings are also presented. The chemical composition of two coatings can be distinguished from that of the others by a strong absorption feature between 20 and 40 microns which is attributed to amorphous silicate material. Inverse relationships between these spectra and coating roughness and thickness are noted and lead to development of a reflecting-layer model for the measured reflectance. The model is applied to the spectra of several coatings whose construction falls within its constraints.

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.

Laboratory simulation of infrared astrophysical features. Ph.D. Thesis; [emission spectra of comets

NASA Technical Reports Server (NTRS)

Rose, L. A.

1977-01-01

Intermediate resolution emission spectroscopy was used to study a group of 9 terrestrial silicates, 1 synthetic silicate, 6 meteorites and 2 lunar soils; comparisons were made with the intermediate resolution spectra of Comet Kohoutek in order to determine which materials best simulate the 10um astrophysical feature. Mixtures of silicates which would yield spectra matching the spectrum of the comet in the 10um region include: (1) A hydrous layer lattice silicate in combination with a high temperature condensate; (2) an amorphous magnesium silicate in combination with a high temperature condensate and (3) glassy olivine and glassy anorthite in approximately equal proportions.

Fourier transform infrared emission spectra of MnH and MnD

NASA Astrophysics Data System (ADS)

Gordon, Iouli E.; Appadoo, Dominique R. T.; Shayesteh, Alireza; Walker, Kaley A.; Bernath, Peter F.

2005-01-01

Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X7Σ + electronic state. The vibration-rotation bands from v = 1 → 0 to v = 3 → 2 for MnH and from v = 1 → 0 to v = 4 → 3 for MnD were recorded at an instrumental resolution of 0.0085 cm -1. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant ( ωe) for MnH was found to be 1546.84518(65) cm -1, the equilibrium rotational constant ( Be) is 5.6856789(103) cm -1 and the eqilibrium bond distance ( re) was determined to be 1.7308601(47) Å.

HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS IN THE 3 μ m REGION: ROLE OF PERIPHERY

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

Maltseva, Elena; Petrignani, Annemieke; Buma, Wybren Jan

2016-11-01

In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3 μ m absorption band. For this purpose, we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950–3150 cm{sup −1} range. The experimental spectra are compared with standard harmonic calculations and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3 μmore » m region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive data set of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3 μ m band, and on features such as the two-component emission character of this band and the 3 μ m emission plateau.« less

Adding a dimension to the infrared spectra of interfaces: 2D SFG spectroscopy via mid-IR pulse shaping

NASA Astrophysics Data System (ADS)

Zanni, Martin

2012-02-01

Sum-frequency generation spectroscopy provides an infrared spectrum of interfaces and thus has widespread use in the materials and chemical sciences. In this presentation, I will present our recent work in developing a 2D pulse sequence to generate 2D SFG spectra of interfaces, in analogy to 2D infrared spectra used to measure bulk species. To develop this spectroscopy, we have utilized many of the tricks-of-the-trade developed in the 2D IR and 2D Vis communities in the last decade, including mid-IR pulse shaping. With mid-IR pulse shaping, the 2D pulse sequence is manipulated by computer programming in the desired frequency resolution, rotating frame, and signal pathway. We believe that 2D SFG will become an important tool in the interfacial sciences in an analogous way that 2D IR is now being used in many disciplines.

Investigation of carbonates in the Sutter's Mill meteorite grains with hyperspectral infrared imaging micro-spectroscopy

NASA Astrophysics Data System (ADS)

Yesiltas, Mehmet

2018-04-01

Synchrotron-based high spatial resolution hyperspectral infrared imaging technique provides thousands of infrared spectra with high resolution, thus allowing us to acquire detailed spatial maps of chemical molecular structures for many grains in short times. Utilizing this technique, thousands of infrared spectra were analyzed at once instead of inspecting each spectrum separately. Sutter's Mill meteorite is a unique carbonaceous type meteorite with highly heterogeneous chemical composition. Multiple grains from the Sutter's Mill meteorite have been studied using this technique and the presence of both hydrous and anhydrous silicate minerals have been observed. It is observed that the carbonate mineralogy varies from simple to more complex carbonates even within a few microns in the meteorite grains. These variations, the type and distribution of calcite-like vs. dolomite-like carbonates are presented by means of hyperspectral FTIR imaging spectroscopy with high resolution. Various scenarios for the formation of different carbonate compositions in the Sutter's Mill parent body are discussed.

Improved assignments of the vibrational fundamental modes of ortho -, meta -, and para -xylene using gas- and liquid-phase infrared and Raman spectra combined with ab initio calculations: Quantitative gas-phase infrared spectra for detection

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

Lindenmaier, Rodica; Scharko, Nicole K.; Tonkyn, Russell G.

Xylenes contain a blend of the ortho-, meta-, and para- isomers, and all are abundant contaminants in the ground, surface waters, and air. To better characterize xylene and to better enable its detection, we report high quality quantitative vapor-phase infrared spectra of all three isomers over the 540-6500 cm -1 range. All fundamental vibrational modes are assigned based on these vapor-phase infrared spectra, liquid-phase infrared and Raman spectra, along with density functional theory (DFT), ab initio MP2 and high energy-accuracy compound theoretical model (W1BD) calculations. Both MP2 and DFT predict a single conformer with C 2v symmetry for ortho-xylene, andmore » two conformers each for meta- and para-xylene, depending on the preferred orientations of the methyl groups. For meta-xylene the two conformers have C s and C 2 symmetry, and for para-xylene these conformers have C 2v or C 2h symmetry. Since the relative population of the two conformers is approximately 50% for both isomers and predicted frequencies and intensities are very similar for each conformer, we made an arbitrary choice to discuss the C s conformer for meta-xylene and the C 2v conformer for para-xylene. We report integrated band intensities for all isomers. Using the quantitative infrared data, we determine the global warming potential values of each isomer and discuss potential bands for atmospheric monitoring.« less

Improved assignments of the vibrational fundamental modes of ortho-, meta-, and para-xylene using gas- and liquid-phase infrared and Raman spectra combined with ab initio calculations: Quantitative gas-phase infrared spectra for detection

NASA Astrophysics Data System (ADS)

Lindenmaier, Rodica; Scharko, Nicole K.; Tonkyn, Russell G.; Nguyen, Kiet T.; Williams, Stephen D.; Johnson, Timothy J.

2017-12-01

Xylenes contain a blend of the ortho-, meta-, and para- isomers, and all are abundant contaminants in the ground, surface waters, and air. To better characterize xylene and to better enable its detection, high quality quantitative vapor-phase infrared spectra of all three isomers over the 6500 - 540 cm-1 range are reported. All fundamental vibrational modes are assigned based on these vapor-phase infrared spectra, liquid-phase infrared and Raman spectra, along with density functional theory (DFT), ab initio MP2 and high energy-accuracy compound theoretical model (W1BD) calculations. Both MP2 and DFT predict a single conformer with C2v symmetry for ortho-xylene, and two conformers each for meta- and para-xylene, depending on the preferred orientations of the methyl groups. For meta-xylene the two conformers have Cs and C2 symmetry, and for para-xylene these conformers have C2v or C2h symmetry. Since the relative population of the two conformers is approximately 50% for both isomers and predicted frequencies and intensities are very similar for each conformer, an arbitrary choice to discuss the Cs conformer for meta-xylene and the C2v conformer for para-xylene is made. Integrated band intensities for all isomers are reported. Using the quantitative infrared data, the global warming potential values of each isomer are determined. Potential bands for atmospheric monitoring are also discussed.

Infrared spectra of seeded hydrogen clusters: (para-H2)N-N2O and (ortho-H2)N-N2O, N = 2-13.

PubMed

Tang, Jian; McKellar, A R W

2005-09-15

High-resolution infrared spectra of clusters containing para-H2 and/or ortho-H2 and a single nitrous oxide molecule are studied in the 2225-cm(-1) region of the upsilon1 fundamental band of N2O. The clusters are formed in pulsed supersonic jet expansions from a cooled nozzle and probed using a tunable infrared diode laser spectrometer. The simple symmetric rotor-type spectra generally show no resolved K structure, with prominent Q-branch features for ortho-H2 but not para-H2 clusters. The observed vibrational shifts and rotational constants are reported. There is no obvious indication of superfluid effects for para-H2 clusters up to N=13. Sharp transitions due to even larger clusters are observed, but no definite assignments are possible. Mixed (para-H2)N-(ortho-H2)M-N2O cluster line positions can be well predicted by linear interpolation between the corresponding transitions of the pure clusters.

Sensitivity and resolution in frequency comb spectroscopy of buffer gas cooled polyatomic molecules

NASA Astrophysics Data System (ADS)

Changala, P. Bryan; Spaun, Ben; Patterson, David; Doyle, John M.; Ye, Jun

2016-12-01

We discuss the use of cavity-enhanced direct frequency comb spectroscopy in the mid-infrared region with buffer gas cooling of polyatomic molecules for high-precision rovibrational absorption spectroscopy. A frequency comb coupled to an optical enhancement cavity allows us to collect high-resolution, broad-bandwidth infrared spectra of translationally and rotationally cold (10-20 K) gas-phase molecules with high absorption sensitivity and fast acquisition times. The design and performance of the combined apparatus are discussed in detail. Recorded rovibrational spectra in the CH stretching region of several organic molecules, including vinyl bromide (CH_2CHBr), adamantane (C_{10}H_{16}), and diamantane (C_{14}H_{20}) demonstrate the resolution and sensitivity of this technique, as well as the intrinsic challenges faced in extending the frontier of high-resolution spectroscopy to large complex molecules.

New low-resolution spectrometer spectra for IRAS sources

NASA Astrophysics Data System (ADS)

Volk, Kevin; Kwok, Sun; Stencel, R. E.; Brugel, E.

1991-12-01

Low-resolution spectra of 486 IRAS point sources with Fnu(12 microns) in the range 20-40 Jy are presented. This is part of an effort to extract and classify spectra that were not included in the Atlas of Low-Resolution Spectra and represents an extension of the earlier work by Volk and Cohen which covers sources with Fnu(12 microns) greater than 40 Jy. The spectra have been examined by eye and classified into nine groups based on the spectral morphology. This new classification scheme is compared with the mechanical classification of the Atlas, and the differences are noted. Oxygen-rich stars of the asymptotic giant branch make up 33 percent of the sample. Solid state features dominate the spectra of most sources. It is found that the nature of the sources as implied by the present spectral classification is consistent with the classifications based on broad-band colors of the sources.

Disk-averaged synthetic spectra of Mars

NASA Technical Reports Server (NTRS)

Tinetti, Giovanna; Meadows, Victoria S.; Crisp, David; Fong, William; Velusamy, Thangasamy; Snively, Heather

2005-01-01

The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin.

Disk-averaged synthetic spectra of Mars.

PubMed

Tinetti, Giovanna; Meadows, Victoria S; Crisp, David; Fong, William; Velusamy, Thangasamy; Snively, Heather

2005-08-01

The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin.

Mid-Infrared Silicate Dust Features in Seyfert 1 Spectra

NASA Astrophysics Data System (ADS)

Thompson, Grant D.; Levenson, N. A.; Sirocky, M. M.; Uddin, S.

2007-12-01

Silicate dust emission dominates the mid-infrared spectra of galaxies, and the dust produces two spectral features, at 10 and 18 μm. These features' strengths (in emission or absorption) and peak wavelengths reveal the geometry of the dust distribution, and they are sensitive to the dust composition. We examine mid-infrared spectra of 32 Seyfert 1 active galactic nuclei (AGN), observed with the Infrared Spectrograph aboard the Spitzer Space Telescope. In the spectra, we typically find the shorter-wavelength feature in emission, at an average peak wavelength of 10.0 μm, although it is known historically as the "9.7 μm" feature. In addition, peak wavelength increases with feature strength. The 10 and 18 μm feature strengths together are sensitive to the dust geometry surrounding the central heating engine. Numerical calculations of radiative transfer distinguish between clumpy and smooth distributions, and we find that the surroundings of these AGN (the obscuring "tori" of unified AGN schemes) are clumpy. Polycyclic aromatic hydrocarbon (PAH) features are associated with star formation, and we find strong PAH emission (luminosity ≥ 1042 erg/s) in only four sources, three of which show independent evidence for starbursts. We will explore the effects of luminosity on dust geometry and chemistry in a comparison sample of quasars. We acknowledge work supported by the NSF under grant number 0237291.

Availability of a library of infrared (2.1-25.0 μm) mineral spectra

USGS Publications Warehouse

Salisbury, John W.; Walter, Louis S.; Vergo, Norma

1989-01-01

All previously published libraries of infrared mineral spectra are in the form of transmittance.  Reflectance spectra are, however, more useful for remote sensing and some potential laboratory applications, such as the use of an infrared microscope for mineral identification on polished sections. This note points out that construction of a new library of infrared (2.1-25.0 μm) mineral spectra is in progress. Both transmittance and reflectance measurements of a selection of 63 different, well-characteized minerals have been published to date. These data are available in both hard copy and digital form.

Validation of Atmospheric InfraRed Sounder (AIRS) spectral radiances with the Scanning High-resolution Interferometer Sounder (S-HIS) aircraft instrument

NASA Astrophysics Data System (ADS)

Tobin, David C.; Revercomb, Henry E.; Moeller, Chris C.; Knuteson, Robert O.; Best, Fred A.; Smith, William L.; van Delst, Paul; LaPorte, Daniel D.; Ellington, Scott D.; Werner, Mark D.; Dedecker, Ralph G.; Garcia, Raymond K.; Ciganovich, Nick N.; Howell, Hugh B.; Dutcher, Steven B.; Taylor, Joe K.

2004-11-01

The ability to accurately validate high spectral resolution infrared radiance measurements from space using comparisons with aircraft spectrometer observations has been successfully demonstrated. The demonstration is based on an under-flight of the Atmospheric Infrared Sounder (AIRS) on the NASA Aqua spacecraft by the Scanning High resolution Interferometer Sounder (S-HIS) on the NASA ER-2 high altitude aircraft on 21 November 2002 and resulted in brightness temperature differences approaching 0.1K for most of the spectrum. This paper presents the details of this AIRS/S-HIS validation case and also presents comparisons of Aqua AIRS and Moderate Resolution Imaging Spectroradiometer (MODIS) radiance observations. Aircraft comparisons of this type provide a mechanism for periodically testing the absolute calibration of spacecraft instruments with instrumentation for which the calibration can be carefully maintained on the ground. This capability is especially valuable for assuring the long-term consistency and accuracy of climate observations. It is expected that aircraft flights of the S-HIS and its close cousin the National Polar Orbiting Environmental Satellite System (NPOESS) Atmospheric Sounder Testbed (NAST) will be used to check the long-term stability of the NASA EOS spacecrafts (Terra, Aqua and Aura) and the follow-on complement of operational instruments, including the Cross-track Infrared Sounder (CrIS).

Intercomparison of three microwave/infrared high resolution line-by-line radiative transfer codes

NASA Astrophysics Data System (ADS)

Schreier, Franz; Milz, Mathias; Buehler, Stefan A.; von Clarmann, Thomas

2018-05-01

An intercomparison of three line-by-line (lbl) codes developed independently for atmospheric radiative transfer and remote sensing - ARTS, GARLIC, and KOPRA - has been performed for a thermal infrared nadir sounding application assuming a HIRS-like (High resolution Infrared Radiation Sounder) setup. Radiances for the 19 HIRS infrared channels and a set of 42 atmospheric profiles from the "Garand dataset" have been computed. The mutual differences of the equivalent brightness temperatures are presented and possible causes of disagreement are discussed. In particular, the impact of path integration schemes and atmospheric layer discretization is assessed. When the continuum absorption contribution is ignored because of the different implementations, residuals are generally in the sub-Kelvin range and smaller than 0.1 K for some window channels (and all atmospheric models and lbl codes). None of the three codes turned out to be perfect for all channels and atmospheres. Remaining discrepancies are attributed to different lbl optimization techniques. Lbl codes seem to have reached a maturity in the implementation of radiative transfer that the choice of the underlying physical models (line shape models, continua etc) becomes increasingly relevant.

Structure of high-resolution K β1 ,3 x-ray emission spectra for the elements from Ca to Ge

NASA Astrophysics Data System (ADS)

Ito, Y.; Tochio, T.; Yamashita, M.; Fukushima, S.; Vlaicu, A. M.; Syrocki, Ł.; Słabkowska, K.; Weder, E.; Polasik, M.; Sawicka, K.; Indelicato, P.; Marques, J. P.; Sampaio, J. M.; Guerra, M.; Santos, J. P.; Parente, F.

2018-05-01

The K β x-ray spectra of the elements from Ca to Ge have been systematically investigated using a high-resolution antiparallel double-crystal x-ray spectrometer. Each K β1 ,3 natural linewidth has been corrected using the instrumental function of this type of x-ray spectrometer, and the spin doublet energies have been obtained from the peak position values in K β1 ,3 x-ray spectra. For all studied elements the corrected K β1 x-ray lines FWHM increase linearly as a function of Z . However, for K β3 x-ray lines this dependence is generally not linear in the case of 3 d elements but increases from Sc to Co elements. It has been found that the contributions of satellite lines are considered to be [K M ] shake processes. Our theoretically predicted synthetic spectra of Ca, Mn, Cu, and Zn are in very good agreement with our high-resolution measurements, except in the case of Mn, due to the open-shell valence configuration effect (more than 7000 transitions for diagram lines and more than 100 000 transitions for satellite lines) and the influence of the complicated structure of the metallic Mn.

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.

High-resolution maps of H2 regions at far-infrared wavelengths. [balloon-borne cassegrain telescope

NASA Technical Reports Server (NTRS)

Fazio, G. G.; Kleinmann, D. E.; Noyes, R. W.; Wright, E. L.; Zeilik, M., II; Low, F. J.

1974-01-01

The first successful flight of a balloon-borne 1-m telescope for far-infrared (40 micron) astronomy occurred on 4 February 1974 (UT), from Palestine, Texas. During 6 h at float altitude, the gyrostabilized telescope mapped the intensity of far-infrared radiation from the H 2 regions Ori A and W3 with a resolution of 1 prime. Partial maps of these regions were made with a resolution of 0.5 prime. These sources were resolved into several components, some of which were previously unknown. Observations of Mars were used for calibration.

A comparison of the far-infrared and low-frequency Raman spectra of glass-forming liquids

NASA Astrophysics Data System (ADS)

Perova, T. S.; Vij, J. K.; Christensen, D. H.; Nielsen, O. F.

1999-04-01

Far-infrared and low-frequency Raman spectra in the wavenumber range from 15 to 500 cm -1 were recorded for glycerol, triacetin (glycerol triacetate) and o-terphenyl at temperatures from 253 to 355 K. The far-infrared spectra of glycerol appear complex compared with the spectra of triacetin owing to the presence of hydrogen bonding in glycerol. The experimental results obtained for o-terphenyl are in good agreement with normal mode analyses carried out for crystalline o-terphenyl (A. Criado, F.J. Bermejo, A. de Andres, Mol. Phys. 82 (1994) 787). The far-infrared results are compared with the low-frequency Raman spectra of these three glass-forming liquids. The difference in temperature dependences found from these spectra is explained on the basis of different temperature contributions of the relaxational and vibrational processes to the low-frequency vibrational spectra.

Modeling the Infrared Spectra of Earth-Analog Exoplanets

NASA Astrophysics Data System (ADS)

Nixon, C.

2014-04-01

As a preparation for future observations with the James Webb Space Telescope (JWST) and other facilities, we have undertaken to model the infrared spectra of Earth-like exoplanets. Two atmospheric models were used: the modern (low CO2) and archean (high CO2) predictive models of the Kasting group at Penn state. Several model parameters such as distance to star, and stellar type (visible-UV spectrum spectrum) were adjusted, and the models reconverged. Subsequently, the final model atmospheres were input to a radiative transfer code (NEMESIS) and the results intercompared to search for the most significant spectral changes. Implications for exoplanet spectrum detectivity will be discussed.

A Simple Approach for Obtaining High Resolution, High Sensitivity ¹H NMR Metabolite Spectra of Biofluids with Limited Mass Supply

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

Hu, Jian Zhi; Rommereim, Donald N.; Wind, Robert A.

2006-11-01

A simple approach is reported that yields high resolution, high sensitivity ¹H NMR spectra of biofluids with limited mass supply. This is achieved by spinning a capillary sample tube containing a biofluid at the magic angle at a frequency of about 80Hz. A 2D pulse sequence called ¹H PASS is then used to produce a high-resolution ¹H NMR spectrum that is free from magnetic susceptibility induced line broadening. With this new approach a high resolution ¹H NMR spectrum of biofluids with a volume less than 1.0 µl can be easily achieved at a magnetic field strength as low as 7.05T.more » Furthermore, the methodology facilitates easy sample handling, i.e., the samples can be directly collected into inexpensive and disposable capillary tubes at the site of collection and subsequently used for NMR measurements. In addition, slow magic angle spinning improves magnetic field shimming and is especially suitable for high throughput investigations. In this paper first results are shown obtained in a magnetic field of 7.05T on urine samples collected from mice using a modified commercial NMR probe.« less

Marvel Analysis of the Measured High-resolution Rovibronic Spectra of TiO

NASA Astrophysics Data System (ADS)

McKemmish, Laura K.; Masseron, Thomas; Sheppard, Samuel; Sandeman, Elizabeth; Schofield, Zak; Furtenbacher, Tibor; Császár, Attila G.; Tennyson, Jonathan; Sousa-Silva, Clara

2017-02-01

Accurate, experimental rovibronic energy levels, with associated labels and uncertainties, are reported for 11 low-lying electronic states of the diatomic {}48{{Ti}}16{{O}} molecule, determined using the Marvel (Measured Active Rotational-Vibrational Energy Levels) algorithm. All levels are based on lines corresponding to critically reviewed and validated high-resolution experimental spectra taken from 24 literature sources. The transition data are in the 2-22,160 cm-1 region. Out of the 49,679 measured transitions, 43,885 are triplet-triplet, 5710 are singlet-singlet, and 84 are triplet-singlet transitions. A careful analysis of the resulting experimental spectroscopic network (SN) allows 48,590 transitions to be validated. The transitions determine 93 vibrational band origins of {}48{{Ti}}16{{O}}, including 71 triplet and 22 singlet ones. There are 276 (73) triplet-triplet (singlet-singlet) band-heads derived from Marvel experimental energies, 123(38) of which have never been assigned in low- or high-resolution experiments. The highest J value, where J stands for the total angular momentum, for which an energy level is validated is 163. The number of experimentally derived triplet and singlet {}48{{Ti}}16{{O}} rovibrational energy levels is 8682 and 1882, respectively. The lists of validated lines and levels for {}48{{Ti}}16{{O}} are deposited in the supporting information to this paper.

High Spatial Resolution Europa Coverage by the Galileo Near Infrared Mapping Spectrometer (NIMS)

NASA Technical Reports Server (NTRS)

1997-01-01

The NIMS instrument on the Galileo spacecraft, which is being used to map the mineral and ice properties over the surfaces of the Jovian moons, produces global spectral images at modest spatial resolution and high resolution spectral images for small selected regions on the satellites. This map illustrates the high resolution coverage of Europa obtained by NIMS through the April 1997 G7 orbit.

The areas covered are displayed on a Voyager-derived map. A good sampling of the dark trailing-side material (180 to 360 degrees) has been obtained, with less coverage of Europa's leading side.

The false-color composites use red, green and blue to represent the infrared brightnesses at 0.7, 1.51 and 1.82 microns respectively. Considerable variations are evident and are related to the composition and sizes of the surface grains.

The Jet Propulsion Laboratory, Pasadena, CA manages the mission for NASA's Office of Space Science, Washington, DC.

The Jet Propulsion Laboratory, Pasadena, CA manages the mission for NASA's Office of Space Science, Washington, DC.

This image and other images and data received from Galileo are posted on the World Wide Web, on the Galileo mission home page at URL http://galileo.jpl.nasa.gov.

Inference of Ice Cloud Properties from High-spectral Resolution Infrared Observations. Appendix 4

NASA Technical Reports Server (NTRS)

Huang, Hung-Lung; Yang, Ping; Wei, Heli; Baum, Bryan A.; Hu, Yongxiang; Antonelli, Paolo; Ackerman, Steven A.

2005-01-01

The theoretical basis is explored for inferring the microphysical properties of ice crystal from high-spectral resolution infrared observations. A radiative transfer model is employed to simulate spectral radiances to address relevant issues. The extinction and absorption efficiencies of individual ice crystals, assumed as hexagonal columns for large particles and droxtals for small particles, are computed from a combination of the finite- difference time-domain (FDTD) technique and a composite method. The corresponding phase functions are computed from a combination of FDTD and an improved geometric optics method (IGOM). Bulk scattering properties are derived by averaging the single- scattering properties of individual particles for 30 particle size distributions developed from in situ measurements and for additional four analytical Gamma size distributions for small particles. The non-sphericity of ice crystals is shown to have a significant impact on the radiative signatures in the infrared (IR) spectrum; the spherical particle approximation for inferring ice cloud properties may result in an overest&ation of the optical thickness and an inaccurate retrieval of effective particle size. Furthermore, we show that the error associated with the use of the Henyey-Greenstein phase function can be as larger as 1 K in terms of brightness temperature for larger particle effective size at some strong scattering wavenumbers. For small particles, the difference between the two phase functions is much less, with brightness temperatures generally differing by less than 0.4 K. The simulations undertaken in this study show that the slope of the IR brightness temperature spectrum between 790-960/cm is sensitive to the effective particle size. Furthermore, a strong sensitivity of IR brightness temperature to cloud optical thickness is noted within the l050-1250/cm region. Based on this spectral feature, a technique is presented for the simultaneous retrieval of the visible

Infrared spectra in monitoring biochemical parameters of human blood

NASA Astrophysics Data System (ADS)

Prabhakar, S.; Jain, N.; Singh, R. A.

2012-05-01

Infrared spectroscopy is gaining recognition as a promising method. The infrared spectra of selected regions (2000-400cm-1) of blood tissue samples are reported. Present study related to the role of spectral peak fitting in the study of human blood and quantitative interpretations of infrared spectra based on chemometrics. The spectral variations are interpreted in terms of the biochemical and pathological processes involved. The mean RNA/DNA ratio of fitted intensities and analytical area as calculated from the transmittance peaks at 1121cm-1/1020cm-1 is found to be 0.911A.U and 2.00A.U. respectively. The ratio of 1659cm-1/1544cm-1 (amide-I/amide-II) bands is found to shed light on the change in the DNA content. The ratio of amide-I/amide-II is almost unity (≈1.054) for blood spectra. The deviation from unity is an indication of DNA absorption from the RBC cells. The total phosphate content has found to be 25.09A.U. The level for glycogen/phosphate ratio (areas under peaks 1030cm-1/1082cm-1) is found to be 0.286A.U. The ratio of unsaturated and saturated carbonyl compounds (C=O) in blood samples is in form of esters and the analytical areas under the spectral peaks at 1740cm-1 and 1731cm-1 for unsaturated esters and saturated esters respectively found to be 0.618A.U.

Winds and Temperatures in Venus Upper Atmosphere from High-Resolution Infrared Heterodyne Spectroscopy

NASA Astrophysics Data System (ADS)

Sornig, Manuela; Sonnabend, Guido; Krötz, Peter; Stupar, Dusan

2010-05-01

Narrow non-LTE emission lines of CO2 at 10μm are induced by solar radiation in Venus upper atmosphere. Measurements of fully resolved emission lines can be used to probe the emitting regions of the atmosphere for winds and tempertaures. Using infrared heterodyne spectroscopy kinetic temperatures with a precision of 5 K can be calculated from the width of emission lines and wind velocities can be determined from Doppler-shifts of emission lines with a precision up to 10 m/s. The non-LTE emission can only occur within a narrow pressure/altitude region around 110 km. At the I.Physikalisches Instiut of the University of Cologne we developed a Tunable Infrared Heterodyne Spectrometer (THIS) capable of accomplishing such ground-based measurements of planetary atmospheres. Beside high spectral resolution (R>107) infrared observations also provide high spatial resolution on the planet. Over the last two years we observed wind velocities and temperatures at several characteristic orbital positions of Venus using the McMath-Pierce-Solar Telescope on Kitt Peak, Arizona, USA. This telescope provides a field-of-view of 1.7 arcsec on an apparent diameter of Venus of approximately 20-60 arcsec. New observations close to inferior conjunction have been accomplished in March and in April 2009 An additional observing run took place in June 2009 at maximum western elongation. These observing geometries allow investigations of wind velocities of different combinations of the superrotational component and the subsolar-antisolar (SS-AS) flow component. Due to the observing geometry during the March and April runs we focused on SS-AS flow. Wind velocities around 140 m/s were found decreasing significantly at high latitudes. No significant superrotational component could be observed and the variability between these two runs was moderate. Data analysis for the run in June 2009 addressing mainly the superrotational component is still in progress. Retrieved temperatures from all three

The Space Infrared Interferometric Telescope (SPIRIT): High-resolution Imaging and Spectroscopy in the Far-infrared

NASA Technical Reports Server (NTRS)

Leisawitz, D,; Baker, G.; Barger, A.; Benford, D.; Blain, A; Boyle, R.; Broderick, R.; Budinoff, J.; Carpenter, J.; Caverly, R.;

The Effect of Chain Length on Mid-Infrared and Near-Infrared Spectra of Aliphatic 1-Alcohols.

PubMed

Kwaśniewicz, Michał; Czarnecki, Mirosław A

2018-02-01

Effect of the chain length on mid-infrared (MIR) and near-infrared (NIR) spectra of aliphatic 1-alcohols from methanol to 1-decanol was examined in detail. Of particular interest were the spectra-structure correlations in the NIR region and the correlation between MIR and NIR spectra of 1-alcohols. An application of two-dimensional correlation analysis (2D-COS) and chemometric methods provided comprehensive information on spectral changes in the data set. Principal component analysis (PCA) and cluster analysis evidenced that the spectra of methanol, ethanol, and 1-propanol are noticeably different from the spectra of higher 1-alcohols. The similarity between the spectra increases with an increase in the chain length. Hence, the most similar are the spectra of 1-nonanol and 1-decanol. Two-dimensional hetero-correlation analysis is very helpful for identification of the origin of bands and may guide selection of the best spectral ranges for the chemometric analysis. As shown, normalization of the spectra pronounces the intensity changes in various spectral regions and provides information not accessible from the raw data. The spectra of alcohols cannot be represented as a sum of the CH 3 , CH 2 , and OH group spectra since the OH group is involved in the hydrogen bonding. As a result, the spectral changes of this group are nonlinear and its spectral profile cannot be properly resolved. Finally, this work provides a lot of evidence that the degree of self-association of 1-alcohols decreases with the increase in chain length because of the growing meaning of the hydrophobic interactions. For butyl alcohol and higher 1-alcohols the hydrophobic interactions are more important than the OH OH interactions. Therefore, methanol, ethanol, and 1-propanol have unlimited miscibility with water, whereas 1-butanol and higher 1-alcohols have limited miscibility with water.

Implications of high-spatial-resolution thermal infrared (Termoskan) data for Mars landing site selection

NASA Technical Reports Server (NTRS)

Betts, Bruce H.

1994-01-01

Thermal infrared observations of Mars from spacecraft provide physical information about the upper thermal skin depth of the surface, which is on the order of a few centimeters in depth and thus very significant for lander site selection. The Termoskan instrument onboard the Soviet Phobos '88 spacecraft acquired the highest spatial-resolution thermal infrared data obtained for Mars, ranging in resolution from 300 m to 3 km per pixel. It simultaneously obtained broadband reflected solar flux data. Although the 6 deg N - 30 deg S Termoskan coverage only slightly overlaps the nominal Mars Pathfinder target range, the implications of Termoskan data for that overlap region and the extrapolations that can be made to other regions give important clues for optimal landing site selection.

Simulated infrared emission spectra of highly excited polyatomic molecules: a detailed model of the PAH-UIR hypothesis

NASA Technical Reports Server (NTRS)

Cook, D. J.; Saykally, R. J.

1998-01-01

A detailed description of the polycyclic aromatic hydrocarbon (PAH)/unidentified infrared band (UIR) mechanism is presented in which experimental spectral bandshape functions are used to simulate IR emission spectra for individual molecules. These spectra are additively superimposed to produce a conglomerate spectrum representative of a family of PAH molecules. Ab initio vibrational frequencies and intensities for nine PAHs (neutral and cationic) as large as ovalene are used in conjunction with measured bandshape and temperature-dependent redshift data to simulate the UIR bands. The calculated spectra of cations provide a closer match to the UIRs than do those of the neutrals. However, the PAH cations used in the simulations fail to reproduce the details of the UIR emission spectra. The discrepancies are potentially alleviated if both larger PAHs and a greater number of PAHs were included in the simulation.

Data Analysis for Rotationally Resolved Spectra: A Simulated Annealing Approach

DTIC Science & Technology

1992-05-29

Table V. Expe rimental Data PSA was used to analyze high resolution infrared spectra of 2- fluoroethanol (2FE) and difluoroethane (DFE). Although the...does not inhere in the model used to calculate spectra, so the match to the experimental spectrum is not ideal. 8. PSA optimization of Difluoroethane ...A) The experimental spectrum of Difluoroethane . B) The spectrum generated from the starting state given to PSA. C) The spectrum generated from the

Infrared emission spectra of candidate interstellar aromatic molecules

NASA Technical Reports Server (NTRS)

Schlemmer, S.; Balucani, N.; Wagner, D. R.; Steiner, B.; Saykally, R. J.

1996-01-01

Interstellar dust is responsible, through surface reactions, for the creation of molecular hydrogen, the main component of the interstellar clouds in which new stars form. Intermediate between small, gas-phase molecules and dust are the polycyclic aromatic hydrocarbons (PAHs). Such molecules could account for 2-30% of the carbon in the Galaxy, and may provide nucleation sites for the formation of carbonaceous dust. Although PAHs have been proposed as the sources of the unidentified infrared emission bands that are observed in the spectra of a variety of interstellar sources, the emission characteristics of such molecules are still poorly understood. Here we report laboratory emission spectra of several representative PAHs, obtained in conditions approximating those of the interstellar medium, and measured over the entire spectral region spanned by the unidentified infrared bands. We find that neutral PAHs of small and moderate size can at best make only a minor contribution to these emission bands. Cations of these molecules, as well as much larger PAHs and their cations, remain viable candidates for the sources of these bands.

A near-infrared high-resolution spectroscopic survey of bulge stars - JASMINE prestudy

NASA Astrophysics Data System (ADS)

Tsujimoto, T.; Gouda, N.; Kobayashi, N.; Yasui, C.; Kondo, S.; Minami, A.; Motohara, K.; Ikeda, Y.

2006-08-01

We are developing a new near-infrared high-resolution (R[max]= 100,000) and high-sensitive spectrograph WINERED, which is specifically customized for short NIR bands at 0.9-1.35 μm. WINERED employs the novelty in the optical system; a potable design and a warm optics without any cold stops. The planned astrometric space mission JASMINE will provide the exact positions, distances, and proper motions of the bulge stars. The missing components, the radial velocity and chemical compositions will be measured by WINERED with high accuracies (δV< 1km/s). These combined data brought by JASMINE and WINERED will certainly reveal the nature of the Galactic bulge. We plan to complete this instrument for the observation of a single object by the end of 2008 and hope to attach it to various 4-10m telescopes as a PI-type instrument. In succession, we will develop it to the design for a simultaneous multi-object spectroscopy.

Far-infrared spectra of acetanilide revisited

NASA Astrophysics Data System (ADS)

Spire, A.; Barthes, M.; Kellouai, H.; De Nunzio, G.

2000-03-01

A new investigation of the temperature dependence of the far-infrared spectra of acetanilide and some isotopomers is presented. Four absorption bands are considered at 31, 42, 64, and 80 cm-1, and no significant change of their integrated intensity is observed when reducing the temperature. The temperature induced frequency shift values and other properties of these bands are consistent with an assignment as anharmonic lattice phonons. These results rule out the assignment of the 64, 80, and 106 cm-1 bands as normal modes of the polaronic excitation, as previously suggested.

A Simulation Program for Dynamic Infrared (IR) Spectra

ERIC Educational Resources Information Center

Zoerb, Matthew C.; Harris, Charles B.

2013-01-01

A free program for the simulation of dynamic infrared (IR) spectra is presented. The program simulates the spectrum of two exchanging IR peaks based on simple input parameters. Larger systems can be simulated with minor modifications. The program is available as an executable program for PCs or can be run in MATLAB on any operating system. Source…

High-Resolution Infrared Spectroscopic Measurements of Comet 2PlEncke: Unusual Organic Composition and Low Rotational Temperatures

NASA Technical Reports Server (NTRS)

Radeva, Yana L.; Mumma, Michael J.; Villanueva, Geronimo L.; Bonev, Boncho P.; DiSanti, Michael A.; A'Hearn, Michael F.; Dello Russo, Neil

2013-01-01

We present high-resolution infrared spectroscopic measurements of the ecliptic comet 2P/Encke, observed on 4-6 Nov. 2003 during its close approach to the Earth, using the Near Infrared Echelle Spectrograph on the Keck II telescope. We present flux-calibrated spectra, production rates, and mixing ratios for H2O, CH3OH, HCN, H2CO, C2H2, C2H6, CH4 and CO. Comet 2P/Encke is a dynamical end-member among comets because of its short period of 3.3 years. Relative to "organics-normal" comets, we determined that 2PlEncke is depleted in HCN, H2CO, C2H2, C2H6, CH4 and CO, but it is enriched in CH3OH. We compared mixing ratios of these organic species measured on separate dates, and we see no evidence of macroscopic chemical heterogeneity in the nucleus of 2P/Encke, however, this conclusion is limited by sparse temporal sampling. The depleted abundances of most measured species suggest that 2P/Encke may have formed closer to the young Sun, before its insertion to the Kuiper belt, compared with "organics-normal" comets - as was previously suggested for other depleted comets (e.g. C/1999 S4 (LINEAR)). We measured very low rotational temperatures of 20 - 30 K for H2O, CH3OH and HCN in the near nucleus region of 2P/Encke, which correlate with one of the lowest cometary gas production rates (approx. 2.6 x 10(exp 27) molecules/s) measured thus far in the infrared. This suggests that we are seeing the effects of more efficient radiative cooling, insufficient collisional excitation, and/or inefficient heating by fast H-atoms (and icy grains) in the observed region of the coma. Its extremely short orbital period, very low gas production rate, and classification as an ecliptic comet, make 2PlEncke an important addition to our growing database, and contribute significantly to the establishment of a chemical taxonomy of comets.

Full-sky, High-resolution Maps of Interstellar Dust

NASA Astrophysics Data System (ADS)

Meisner, Aaron Michael

We present full-sky, high-resolution maps of interstellar dust based on data from the Wide-field Infrared Survey Explorer (WISE) and Planck missions. We describe our custom processing of the entire WISE 12 micron All-Sky imaging data set, and present the resulting 15 arcsecond resolution, full-sky map of diffuse Galactic dust emission, free of compact sources and other contaminating artifacts. Our derived 12 micron dust map offers angular resolution far superior to that of all other existing full-sky, infrared dust emission maps, revealing a wealth of small-scale filamentary structure. We also apply the Finkbeiner et al. (1999) two-component thermal dust emission model to the Planck HFI maps. We derive full-sky 6.1 arcminute resolution maps of dust optical depth and temperature by fitting this two-component model to Planck 217-857 GHz along with DIRBE/IRAS 100 micron data. In doing so, we obtain the first ever full-sky 100-3000 GHz Planck-based thermal dust emission model, as well as a dust temperature correction with ~10 times enhanced angular resolution relative to DIRBE-based temperature maps. Analyzing the joint Planck/DIRBE dust spectrum, we show that two-component models provide a better fit to the 100-3000 GHz emission than do single-MBB models, though by a lesser margin than found by Finkbeiner et al. (1999) based on FIRAS and DIRBE. We find that, in diffuse sky regions, our two-component 100-217 GHz predictions are on average accurate to within 2.2%, while extrapolating the Planck Collaboration (2013) single-MBB model systematically underpredicts emission by 18.8% at 100 GHz, 12.6% at 143 GHz and 7.9% at 217 GHz. We calibrate our two-component optical depth to reddening, and compare with reddening estimates based on stellar spectra. We find the dominant systematic problems in our temperature/reddening maps to be zodiacal light on large angular scales and the cosmic infrared background anisotropy on small angular scales. Future work will focus on combining

An abundance study of IC 418 using high-resolution, signal-to-noise emission spectra

NASA Astrophysics Data System (ADS)

Sharpee, Brian David

2003-11-01

An on-going problem in astrophysics involves the large and varying disagreement between abundances measurements made in planetary nebulae (PNe), determined from the strengths of emission lines arising from the same source ion, but excited by differing mechanisms (recombination and collisional excitation) in planetary nebulae (PNe). We investigate the extent of this problem in IC 418, a PN chosen for its great surface brightness and perceived visually uncomplicated geometry, through the use of high resolution (R ≈ 30000 = 10 km sec-1 at 6500Å) echelle emission spectroscopy in the optical regime (3500 9850Å). These observations allow us to construct the most detailed list of atomic emission lines ever compiled for IC 418, and among the most detailed from among all PNe. Ionic abundances are calculated from the fluxes of numerous weak (1 × 10-5 Hβ) atomic emission lines from the ions of C,N,O, and Ne, using the most recent and accurate atomic transition information presently available. The high resolution of these spectra provides well-defined line profiles, which, coupled with the perceived simplicity of the object's expansion velocity distribution, allows us to better determine where in the nebula lines are formed, and where the ions that produce them are concentrated. Evidence for “non-conventional” line excitation mechanisms, such as continuum fluorescence from the ground state or enhanced dielectronic recombination, is sought in the profile morphologies and relative line strengths. Non-conventional excitation processes may influence the strengths of lines enough to significantly alter abundances calculated from them. Our calculations show that recombination line-derived abundances exceed those derived from collisionally excited lines, for those ions for which we observed lines of both types: O+, O+2, and Ne +2 by real and varying amounts. We find that both continuum fluorescence and dielectronic recombination excites numerous lines in IC 418, but that

Testing forward model against OCO-2 and TANSO-FTS/GOSAT observed spectra in near infrared range

NASA Astrophysics Data System (ADS)

Zadvornykh, Ilya V.; Gribanov, Konstantin G.

2015-11-01

An existing software package FIRE-ARMS (Fine InfraRed Explorer for Atmospheric Remote MeasurementS) was modified by embedding vector radiative transfer model VLIDORT. Thus the program tool includes both thermal (TIR) and near infrared (NIR) regions. We performed forward simulation of near infrared spectra on the top of the atmosphere for outgoing radiation accounting multiple scattering in cloudless atmosphere. Simulated spectra are compared with spectra measured by TANSO-FTS/GOSAT and OCO-2 in the condition of cloudless atmosphere over Western Siberia. NCEP/NCAR reanalysis data were used to complete model atmosphere.

HIGH-RESOLUTION FOURIER TRANSFORM INFRARED SPECTRUM OF THE ν2 + ν12 BAND OF ETHYLENE (12C2H4)

NASA Astrophysics Data System (ADS)

Lebron, G. B.; Tan, T. L.

2013-09-01

The high-resolution Fourier transform infrared absorption spectrum of the ν2 + ν12 combination band of normal ethylene (12C2H4) in the 3050-3105 cm-1 region was recorded at a resolution of 0.0063 cm-1 and at an ambient temperature of 296 K. Upper state rovibrational analysis was carried out using a standard Watson's Hamiltonian in asymmetric reduction in Ir representation. The band center, rotational constants and centrifugal distortion constants up to quartic terms of the upper ν2 + ν12 = 1 state were determined from the final fit that included 102 infrared transitions. The root-mean-square deviation of the fit was 0.000729 cm-1.

Data-driven signal-resolving approaches of infrared spectra to explore the macroscopic and microscopic spatial distribution of organic and inorganic compounds in plant.

PubMed

Chen, Jian-bo; Sun, Su-qin; Zhou, Qun

2015-07-01

The nondestructive and label-free infrared (IR) spectroscopy is a direct tool to characterize the spatial distribution of organic and inorganic compounds in plant. Since plant samples are usually complex mixtures, signal-resolving methods are necessary to find the spectral features of compounds of interest in the signal-overlapped IR spectra. In this research, two approaches using existing data-driven signal-resolving methods are proposed to interpret the IR spectra of plant samples. If the number of spectra is small, "tri-step identification" can enhance the spectral resolution to separate and identify the overlapped bands. First, the envelope bands of the original spectrum are interpreted according to the spectra-structure correlations. Then the spectrum is differentiated to resolve the underlying peaks in each envelope band. Finally, two-dimensional correlation spectroscopy is used to enhance the spectral resolution further. For a large number of spectra, "tri-step decomposition" can resolve the spectra by multivariate methods to obtain the structural and semi-quantitative information about the chemical components. Principal component analysis is used first to explore the existing signal types without any prior knowledge. Then the spectra are decomposed by self-modeling curve resolution methods to estimate the spectra and contents of significant chemical components. At last, targeted methods such as partial least squares target can explore the content profiles of specific components sensitively. As an example, the macroscopic and microscopic distribution of eugenol and calcium oxalate in the bud of clove is studied.

High-resolution electronic spectra of yttrium oxide (YO): The D2Σ+-X2Σ+ transition.

PubMed

Zhang, Deping; Zhang, Qiang; Zhu, Boxing; Gu, Jingwang; Suo, Bingbing; Chen, Yang; Zhao, Dongfeng

2017-03-21

The D 2 Σ + -X 2 Σ + electronic absorption spectrum of the astrophysically relevant yttrium oxide (YO) molecule has been recorded for the first time in the 400-440 nm region using laser induced fluorescence. YO molecules are produced by corona discharge of oxygen between the tips of two yttrium needles in a supersonic jet expansion. An unambiguous spectroscopic identification of the D 2 Σ + -X 2 Σ + transition becomes possible from a combined analysis of the moderate-resolution laser excitation spectrum and dispersed fluorescence spectrum. We have also performed multi-state complete active space second order perturbation theory calculations on the first six doublets of YO, and the results support our assignment of the D 2 Σ + state. Accurate spectroscopic constants for D 2 Σ + ν' = 0 and 1 levels have been determined from a rotational analysis of the high resolution spectra that are recorded with a resolution of ∼0.018 cm -1 . Severe perturbations are observed in the experimental spectra and are considered to originate from interactions with at least one nearby 2/4 Π electronic state, e.g., the undetected C 2 Π state. We have also measured the radiative lifetimes of B 2 Σ + ν' = 0, and D 2 Σ + ν' = 0 and 1 states, based on which the B 2 Σ + -X 2 Σ + (0, 0) and D 2 Σ + -X 2 Σ + (0/1, 0) band oscillator strengths have been determined.

High-resolution electronic spectra of yttrium oxide (YO): The D2Σ+-X2Σ+ transition

NASA Astrophysics Data System (ADS)

Zhang, Deping; Zhang, Qiang; Zhu, Boxing; Gu, Jingwang; Suo, Bingbing; Chen, Yang; Zhao, Dongfeng

2017-03-01

The D2Σ+ -X2Σ+ electronic absorption spectrum of the astrophysically relevant yttrium oxide (YO) molecule has been recorded for the first time in the 400-440 nm region using laser induced fluorescence. YO molecules are produced by corona discharge of oxygen between the tips of two yttrium needles in a supersonic jet expansion. An unambiguous spectroscopic identification of the D2Σ+ -X2Σ+ transition becomes possible from a combined analysis of the moderate-resolution laser excitation spectrum and dispersed fluorescence spectrum. We have also performed multi-state complete active space second order perturbation theory calculations on the first six doublets of YO, and the results support our assignment of the D2Σ+ state. Accurate spectroscopic constants for D2Σ+ ν ' = 0 and 1 levels have been determined from a rotational analysis of the high resolution spectra that are recorded with a resolution of ˜0.018 cm-1. Severe perturbations are observed in the experimental spectra and are considered to originate from interactions with at least one nearby 2/4Π electronic state, e.g., the undetected C2Π state. We have also measured the radiative lifetimes of B2 Σ+ ν ' = 0, and D2 Σ+ ν ' = 0 and 1 states, based on which the B2Σ+ -X2Σ+ (0, 0) and D2Σ+ -X2Σ+ (0/1, 0) band oscillator strengths have been determined.

The Spitzer Infrared Nearby Galaxies Survey: A High-Resolution Spectroscopy Anthology

NASA Astrophysics Data System (ADS)

Dale, Daniel A.; SINGS Team

2009-05-01

Results from high resolution mid-infrared spectroscopy are presented for 155 nuclear and extranuclear regions from SINGS. The SINGS sample shows a wide range in the ratio of [SIII]18.71/[SIII]33.48, but the average ratio of the ensemble indicates a typical interstellar electron density of 300--400 cm-3 on 23"x15" scales and 500--600 cm-3 using 11"x9" apertures, independent of whether the region probed is a star-forming nuclear, a star-forming extranuclear, or an AGN environment. Evidence is provided that variations in gas-phase metallicity play an important role in driving variations in radiation field hardness, as indicated by [NeIII]15.56/[NeII]12.81, for regions powered by star formation. Conversely, the radiation hardness for galaxy nuclei powered by accretion around a massive black hole is independent of metal abundance. Furthermore, for metal-rich environments AGN are distinguishable from star-forming regions by significantly larger [NeIII]15.56/[NeII]12.81 ratios. Finally, [FeII]25.99/[NeII]12.81 versus [SiII]34.82/[SIII]33.48 also provides an empirical method for discerning AGN from normal star-forming sources. However, similar to [NeIII]15.56/[NeII]12.81, these mid-infrared line ratios lose their AGN/star-formation diagnostic powers for very low metallicity star-forming systems with hard radiation fields.

Variations in the Infrared Spectra of Wüstite with Defects and Disorder

NASA Astrophysics Data System (ADS)

Koike, C.; Matsuno, J.; Chihara, H.

2017-08-01

The presence of FeO particles in circumstellar space has been suggested based on the observation of a mysterious 21 μm emission band. However, the complete infrared spectra of FeO have not been obtained so far; hence, data of the infrared (IR) spectra of FeO need to be investigated. We prepared synthetic and commercial samples of FeO, which were obtained by crushing bulk samples, annealing iron oxalate dihydrate ({{FeC}}2{{{O}}}4\\cdot 2{{{H}}}2{{O}}), and mechanical milling of a powder mixture comprising (Fe and {{Fe}}2{{{O}}}3) particles with different milling times. We present a new study on the IR spectra of these samples, and show that these spectra changed according to defects and disorders. Furthermore, FeO particles are very sensitive to oxygen fugacity and temperature. The spectra of FeO particles were compared with the unidentified observed feature. It may be difficult for FeO particles to exist alone in the ISM and circumstellar space. This may be connected to the problem of missing iron in the ISM.

Pluto's atmosphere in 2015 from high-resolution spectroscopy

NASA Astrophysics Data System (ADS)

Roe, Henry G.; Cook, Jason C.; Mace, Gregory N.; Holler, Bryan J.; Young, Leslie A.; McLane, Jacob N.; Jaffe, Daniel T.

2015-11-01

Pluto's thin N2/CH4 atmosphere is in vapor-pressure equilibrium with ices on its surface. The atmosphere evolves seasonally with the varying insolation pattern on Pluto's heterogenous surface, perhaps even largely freezing out to the surface during the coldest portion of Pluto's year. We use high-resolution (R≈25,000-50,000) near-infrared spectroscopy to resolve atmospheric methane absorption lines from Pluto's continuum spectra, as well as separate Pluto's atmospheric lines from the telluric spectrum. In addition to measuring the abundance and temperature of Pluto's atmospheric CH4, with broad wavelength coverage we are able to search for the inevitable products of N2/CH4 photochemistry. In 2015 we are undertaking an intensive campaign using NIRSPEC at Keck Observatory and IGRINS (Immersion Grating INfrared Spectrometer) at McDonald Observatory to coincide with the New Horizons Pluto encounter. We will report initial results from this 2015 campaign and compare the state of Pluto's atmosphere at the time of the New Horizons encounter with earlier years.

Spectroscopic determination of leaf traits using infrared spectra

NASA Astrophysics Data System (ADS)

Buitrago, Maria F.; Groen, Thomas A.; Hecker, Christoph A.; Skidmore, Andrew K.

2018-07-01

Leaf traits characterise and differentiate single species but can also be used for monitoring vegetation structure and function. Conventional methods to measure leaf traits, especially at the molecular level (e.g. water, lignin and cellulose content), are expensive and time-consuming. Spectroscopic methods to estimate leaf traits can provide an alternative approach. In this study, we investigated high spectral resolution (6612 bands) emissivity measurements from the short to the long wave infrared (1.4-16.0 μm) of leaves from 19 different plant species ranging from herbaceous to woody, and from temperate to tropical types. At the same time, we measured 14 leaf traits to characterise a leaf, including chemical (e.g., leaf water content, nitrogen, cellulose) and physical features (e.g., leaf area and leaf thickness). We fitted partial least squares regression (PLSR) models across the SWIR, MWIR and LWIR for each leaf trait. Then, reduced models (PLSRred) were derived by iteratively reducing the number of bands in the model (using a modified Jackknife resampling method with a Martens and Martens uncertainty test) down to a few bands (4-10 bands) that contribute the most to the variation of the trait. Most leaf traits could be determined from infrared data with a moderate accuracy (65 < Rcv2 < 77% for observed versus predicted plots) based on PLSRred models, while the accuracy using the whole infrared range (6612 bands) presented higher accuracies, 74 < Rcv2 < 90%. Using the full SWIR range (1.4-2.5 μm) shows similarly high accuracies compared to the whole infrared. Leaf thickness, leaf water content, cellulose, lignin and stomata density are the traits that could be estimated most accurately from infrared data (with Rcv2 above 0.80 for the full range models). Leaf thickness, cellulose and lignin were predicted with reasonable accuracy from a combination of single infrared bands. Nevertheless, for all leaf traits, a combination of a few bands yields moderate to

Acidic weathering of basalt and basaltic glass: 1. Near-infrared spectra, thermal infrared spectra, and implications for Mars

NASA Astrophysics Data System (ADS)

Horgan, Briony H. N.; Smith, Rebecca J.; Cloutis, Edward A.; Mann, Paul; Christensen, Philip R.

2017-01-01

Acid-leached rinds and coatings occur in volcanic environments on Earth and have been identified using orbital spectroscopy on Mars, but their development is poorly understood. We simulated long-term open-system acidic weathering in a laboratory by repeatedly rinsing and submerging crystalline and glassy basalts in pH 1 and pH 3 acidic solutions for 213 days and compared their visible/near-infrared (0.3-2.5 µm) and thermal infrared (5-50 µm) spectral characteristics to their microscopic physical and chemical properties from scanning electron microscopy (SEM). We find that while alteration at moderately low pH ( 3) can produce mineral precipitates from solution, it has very little spectral or physical effect on the underlying parent material. In contrast, alteration at very low pH ( 1) results in clear silica spectral signatures for all crystalline samples while glasses exhibit strong blue concave-up near-infrared slopes. SEM indicates that these spectral differences correspond to different modes of alteration. In glass, alteration occurs only at the surface and produces a silica-enriched leached rind, while in more crystalline samples, alteration penetrates the interior to cause dissolution and replacement by silica. We confirm that glass is more stable than crystalline basalt under long-term acidic leaching, suggesting that glass could be enriched and common in terrains on Mars that have been exposed to acidic weathering. Leached glasses are consistent with both OMEGA and Thermal Emission Spectrometer (TES) spectra of the Martian northern lowlands and may contribute to the high-silica phases detected globally in TES Surface Type 2. Thus, both glass-rich deposits and acidic weathering may have been widespread on Mars.

High-spatial-resolution mapping of superhydrophobic cicada wing surface chemistry using infrared microspectroscopy and infrared imaging at two synchrotron beamlines.

PubMed

Tobin, Mark J; Puskar, Ljiljana; Hasan, Jafar; Webb, Hayden K; Hirschmugl, Carol J; Nasse, Michael J; Gervinskas, Gediminas; Juodkazis, Saulius; Watson, Gregory S; Watson, Jolanta A; Crawford, Russell J; Ivanova, Elena P

2013-05-01

The wings of some insects, such as cicadae, have been reported to possess a number of interesting and unusual qualities such as superhydrophobicity, anisotropic wetting and antibacterial properties. Here, the chemical composition of the wings of the Clanger cicada (Psaltoda claripennis) were characterized using infrared (IR) microspectroscopy. In addition, the data generated from two separate synchrotron IR facilities, the Australian Synchrotron Infrared Microspectroscopy beamline (AS-IRM) and the Synchrotron Radiation Center (SRC), University of Wisconsin-Madison, IRENI beamline, were analysed and compared. Characteristic peaks in the IR spectra of the wings were assigned primarily to aliphatic hydrocarbon and amide functionalities, which were considered to be an indication of the presence of waxy and proteinaceous components, respectively, in good agreement with the literature. Chemical distribution maps showed that, while the protein component was homogeneously distributed, a significant degree of heterogeneity was observed in the distribution of the waxy component, which may contribute to the self-cleaning and aerodynamic properties of the cicada wing. When comparing the data generated from the two beamlines, it was determined that the SRC IRENI beamline was capable of producing higher-spatial-resolution distribution images in a shorter time than was achievable at the AS-IRM beamline, but that spectral noise levels per pixel were considerably lower on the AS-IRM beamline, resulting in more favourable data where the detection of weak absorbances is required. The data generated by the two complementary synchrotron IR methods on the chemical composition of cicada wings will be immensely useful in understanding their unusual properties with a view to reproducing their characteristics in, for example, industry applications.

Microwave, infrared and Raman spectra, conformational stability and vibrational assignment of methoxyflurane

NASA Astrophysics Data System (ADS)

Li, Y. S.; Durig, J. R.

1982-05-01

The low resolution microwave spectrum of methoxyflurane, CHCl 2CF 2OCH 3, has been recorded from 26.5 to 39.0 GHz. From the spacing of the major transitions it is shown that the value of 2036 MHz for B + C is consistent with the trans-trans or gauche-trans conformers where the first term ( trans or gauche) refers to the internal rotation around the C-C bond. The infrared (40-3500 cm -1) and the Raman (20-3500 cm -1) spectra have been recorded for gaseous and solid methoxyflurane. Additionally, the Raman spectrum of the liquid has been obtained and qualitative depolarization ratios measured. From these data it is shown that the most stable form in the fluid phases at ambient temperature is the gauche-trans conformer but the trans-trans form is the most stable in the solid state. A complete vibrational analysis based on infrared band contours, depolarization values and group frequencies is proposed for this conformer. From the analysis of the low frequency vibrational data, values of some of the barriers to internal rotation are estimated. These results are compared to some similar quantities for some corresponding molecules.

High-pressure infrared sepctra of alpha-quartz, coesite, stishovite and silica glass

NASA Technical Reports Server (NTRS)

Williams, Q.; Hemley, R. J.; Kruger, M. B.; Jeanloz, R.

1993-01-01

High-pressure infrared absorption spectra of alpha-quatz, coesite, stishovite, and SiO2 glass are consistent with the primary compression mechanism of the initially tetrahedrally bonded phases being the bending of the Si-O-Si angle at pressures less than 10-20 GPa. At higher pressures, up to 40 GPa, we observe a decline in the intensity of the infrared SiO4 asymmetric-stretching vibrations of all three phases, with an increase in the relative amplitude between 700 and 900/cm. This change in intensities is attributed to an increase in the average coordination number of silicon through extreme distortion of tetrahedra. At pressures above approximately 20 GPa, the low-pressure crystalline polymorphs gradually become amorphous, and the infrared spectra provide evidence for an increase in silicon coordination in these high-density amorphous phases. The pressure-amorphized samples prepared from quartz and coesite differ structurally both from each other and from silica glass that has been compressed, and the high pressure spectra indicate that these materials are considerably more disordered than stishovite under comparable pressure conditions. Average mode Grueneisen parameters calculated for quartz, stishovite and fused silica from both infrared and Raman spectra are compatible with the corresponding thermodynamic value of the Grueneisen parameter, however, that of coesite is significantly discrepant.

High Resolution Radio Observations Of Energetically Dominant Regions In Local Luminous Infrared Galaxies

NASA Astrophysics Data System (ADS)

Barcos-Munoz, Loreto

2016-07-01

Luminous and Ultra-luminous Infrared galaxies (U/LIRGs) are one of the most powerful classes of extragalactic objects in the local universe, and they provide a unique opportunity to study star formation and feedback processes in extreme environments. They are primarily observed to be interacting or merging disk galaxies. During the interaction, large amounts of gas are funneled to the central few kpc, triggering high star formation rates (SFR) and dust production. The absorption of UV and optical radiation from stars, or active galactic nuclei (AGN), by dust produces their observed high infrared luminosities.The high level of dust obscuration intrinsic to U/LIRGs makes them difficult to study. Radio interferometry is thus the perfect tool for revealing the nature of these systems - it provides the high spatial resolution needed to resolve energetically dominant regions in U/LIRGs at wavelengths that have both diagnostic power and transparency to dust. In this thesis, 6 and 33 GHz radio continuum interferometric observations with the upgraded Karl G. Jansky Very Large Array (VLA) are used to study a sample of 22 local U/LIRGs.First, a detailed analysis of the 6 and 33 GHz radio continuum emission from the closest ULIRG, Arp 220, is presented. This late stage merger is highly obscured, being optically thick even at mid-infrared wavelengths. Further, due to its extreme environment, it is often used as a template for high redshift starbursts. Arp 220 hosts two distinct nuclei that are separated by (\\sim) 370 pc. The nuclei are well resolved with the 33 GHz observations (i.e., with a spatial resolution of ˜ 30 pc). The deconvolved radii enclosing half of the total 33 GHz light are approximately 50 and 35 pc for the eastern and western nucleus, respectively. Literature values of the gas mass and infrared luminosity are combined with the 33 GHz sizes under the assumption of co-spatiality to show that Arp 220 has one of the highest molecular gas surface densities

Analysis of High-Resolution Infrared and CARS Spectra of ³⁴S¹⁸O₃

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

Masiello, Tony; Barber, Jeffrey B.; Chrysostom, Engelene

2004-01-01

Three fundamental modes and several hot bands of 34S18O3 have been investigated using both infrared spectroscopy and coherent anti-Stokes Raman scattering spectroscopy (CARS). Coriolis coupling effects are particularly noticeable in 34S18O3 due to the close proximity of the v2 and v4 fundamental vibrations, whose wavenumber values are 477.508 64(5) and 502.055 65(4) cm-1. The uncertainties in the last digits are shown in parentheses and are two standard deviations. Hot band transitions from v2, v4 levels give access to infrared inactive v2, v4 combination/overtone levels which interact strongly with levels of the Raman-active v1 symmetric stretching mode due to indirect Coriolismore » couplings, l-resonances, and Fermi resonances. The result is a complex v1 CARS Q- branch spectrum that is the most perturbed of the four SO3 isotopomers we have studied. The relative importance of these interaction terms on the v1 CARS spectrum is examined in some detail and accurate rovibrational constants are determined for all of the mixed states, leading to deperturbed values of 1004.662(24), 0.000 350 3(9), and 0.000 706 6(12) cm-1 for v1, α1B, and α1C, respectively. The B e value is found to be 0.310 817(12) cm-1, which gives an equilibrium bond length re of 141.7339(3) pm, in excellent agreement with values of 141.7340(1) and 141.7347(7) pm reported earlier for 32S16O3 and 34S16O3.« less

Generating the Infrared Spectra of Large Interstellar Molecules with Density Functional Theory

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Arnold, James (Technical Monitor)

1999-01-01

It is now possible to compute IR (infrared) spectra of large molecules with an accuracy of 30 per cm, or better, using density function theory. This is true for cations, anions, and neutrals. Thus it possible to generate synthetic IR spectra that can help interpret experimental spectra and fill in for missing experimental data. These synthetic spectra can be used as input into interstellar models. In addition to IR spectra, it is possible to compute energetic properties to help understand which molecules can be formed in the interstellar environment.

Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds

ERIC Educational Resources Information Center

Wang, Lihua

2012-01-01

A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by…

Standardization of milk infrared spectra for the retroactive application of calibration models.

PubMed

Bonfatti, V; Fleming, A; Koeck, A; Miglior, F

2017-03-01

The objective of this study was to standardize the infrared spectra obtained over time and across 2 milk laboratories of Canada to create a uniform historical database and allow (1) the retroactive application of calibration models for prediction of fine milk composition; and (2) the direct use of spectral information for the development of indicators of animal health and efficiency. Spectral variation across laboratories and over time was inspected by principal components analysis (PCA). Shifts in the PCA scores were detected over time, leading to the definition of different subsets of spectra having homogeneous infrared signal. To evaluate the possibility of using common equations on spectra collected by the 2 instruments and over time, we developed a standardization (STD) method. For each subset of data having homogeneous infrared signal, a total of 99 spectra corresponding to the percentiles of the distribution of the absorbance at each wavenumber were created and used to build the STD matrices. Equations predicting contents of saturated fatty acids, short-chain fatty acids, and C18:0 were created and applied on different subsets of spectra, before and after STD. After STD, bias and root mean squared error of prediction decreased by 66% and 32%, respectively. When calibration equations were applied to the historical nonstandardized database of spectra, shifts in the predictions could be observed over time for all investigated traits. Shifts in the distribution of the predictions over time corresponded to the shifts identified by the inspection of the PCA scores. After STD, shifts in the predicted fatty acid contents were greatly reduced. Standardization reduced spectral variability between instruments and over time, allowing the merging of milk spectra data from different instruments into a common database, the retroactive use of calibrations equations, or the direct use of the spectral data without restrictions. Copyright © 2017 American Dairy Science

High-resolution sub-Doppler infrared spectroscopy of atmospherically relevant Criegee precursor CH2I radicals: CH2 stretch vibrations and "charge-sloshing" dynamics

NASA Astrophysics Data System (ADS)

Kortyna, A.; Lesko, D. M. B.; Nesbitt, D. J.

2018-05-01

The combination of a pulsed supersonic slit-discharge source and single-mode difference frequency direct absorption infrared spectroscopy permit first high resolution infrared study of the iodomethyl (CH2I) radical, with the CH2I radical species generated in a slit jet Ne/He discharge and cooled to 16 K in the supersonic expansion. Dual laser beam detection and collisional collimation in the slit expansion yield sub-Doppler linewidths (60 MHz), an absolute frequency calibration of 13 MHz, and absorbance sensitivities within a factor of two of the shot-noise limit. Fully rovibrationally resolved direct absorption spectra of the CH2 symmetric stretch mode (ν2) are obtained and fitted to a Watson asymmetric top Hamiltonian with electron spin-rotation coupling, providing precision rotational constants and spin-rotation tensor elements for the vibrationally excited state. Analysis of the asymmetric top rotational constants confirms a vibrationally averaged planar geometry in both the ground- and first-excited vibrational levels. Sub-Doppler resolution permits additional nuclear spin hyperfine structures to be observed, with splittings in excellent agreement with microwave measurements on the ground state. Spectroscopic data on CH2I facilitate systematic comparison with previous studies of halogen-substituted methyl radicals, with the periodic trends strongly correlated with the electronegativity of the halogen atom. Interestingly, we do not observe any asymmetric CH2 stretch transitions, despite S/N ≈ 25:1 on strongest lines in the corresponding symmetric CH2 stretch manifold. This dramatic reversal of the more typical 3:1 antisymmetric/symmetric CH2 stretch intensity ratio signals a vibrational transition moment poorly described by simple "bond-dipole" models. Instead, the data suggest that this anomalous intensity ratio arises from "charge sloshing" dynamics in the highly polar carbon-iodine bond, as supported by ab initio electron differential density plots and

High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons: The Realm of Anharmonicity

NASA Technical Reports Server (NTRS)

Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

2016-01-01

We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3 micrometers CH stretching region of Polycyclic Aromatic Hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold ((is) approximately 4K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions enhanced with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main modes that fall within 0.5% of the experimental frequencies. The implications for the Aromatic Infrared Bands, specifically the 3-m band are discussed.

HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY

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

Maltseva, Elena; Buma, Wybren Jan; Petrignani, Annemieke

2015-11-20

We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3-μm CH stretching region of polycyclic aromatic hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold (∼4 K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computationalmore » program SPECTRO, providing anharmonic predictions with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main bands that fall within 0.5% of the experimental frequencies. The implications for the aromatic infrared bands, specifically the 3-μm band, are discussed.« less

Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

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

Pirali, O.; Gruet, S.; Institut des Sciences Moléculaires d’Orsay, UMR8214 CNRS – Université Paris-Sud, Bât. 210, 91405 Orsay cedex

2015-03-14

Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution studymore » of the three lowest vibrational states of quinoline C{sub 9}H{sub 7}N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν{sub 45} and ν{sub 44} vibrational modes (located at about 168 cm{sup −1} and 178 cm{sup −1}, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.« less

Detection of atomic oxygen and further line assignments in the far-infrared stratospheric spectrum

NASA Technical Reports Server (NTRS)

Carli, B.; Mencaraglia, F.; Bonetti, A.; Carlotti, M.; Nolt, I.

1985-01-01

Recent progress in high-resolution measurement of sub-millimeter and far-infrared emission in the stratosphere is reviewed. Attention is given to the results of recent balloon measurements of the minor stratospheric constituents in the spectral range 40-190 per cm. Emission spectra are presented for HCl; HF; and OH. Emission spectra were also obtained for atomic oxygen; hydrobromic acid; and hydroperoxyl radical. The possibility of detecting HO2 and H2O2 in the far-infrared is also briefly discussed.

Aluminum oxide in stellar spectra - An infrared electronic transition

NASA Technical Reports Server (NTRS)

Luck, R. E.; Lambert, D. L.

1974-01-01

Review of recent research on the possibility of detecting the infrared electronic transition of aluminum oxide in the spectra of cool stars. It is shown that this transition may be of considerable significance for the study of Mira-type variables. Specific targets of further laboratory investigation of the transition are pointed out.

Searching for H2 emission from protoplanetary disks using near- and mid-infrared high-resolution spectroscopy

NASA Astrophysics Data System (ADS)

Carmona, A.; van den Ancker, M. E.; Henning, Th.; Pavlyuchenkov, Ya.; Dullemond, C. P.; Goto, M.; Fedele, D.; Stecklum, B.; Thi, W.-F.; Bouwman, J.; Waters, L. B. F. M.

2008-05-01

The mass and dynamics of protoplanetary disks are dominated by molecular hydrogen (H2). However, observationally very little is known about the H2. In this paper, we discuss two projects aimed to constrain the properties of H2 in the disk's planet forming region (R<50AU). First, we present a sensitive survey for pure-rotational H2 emission at 12.278 and 17.035 μm in a sample of nearby Herbig Ae/Be and T Tauri stars using VISIR, ESO's VLT high-resolution mid-infrared spectrograph. Second, we report on a search for H2 ro-vibrational emission at 2.1228, 2.2233 and 2.2477 μm in the classical T Tauri star LkHα 264 and the debris disk 49 Cet employing CRIRES, ESO's VLT high-resolution near-infrared spectrograph. VISIR project: none of the sources show H2 mid-IR emission. The observed disks contain less than a few tenths of MJupiter of optically thin H2 at 150 K, and less than a few MEarth at T>300 K. % and higher T. Our non-detections are consistent with the low flux levels expected from the small amount of H2 gas in the surface layer of a Chiang and Goldreich (1997) Herbig Ae two-layer disk model. In our sources the H2 and dust in the surface layer have not significantly departed from thermal coupling (Tgas/Tdust<2) and the gas-to-dust ratio in the surface layer is very likely <1000. CRIRES project: The H2 lines at 2.1218 μm and 2.2233 μm are detected in LkHα 264. An upper limit on the 2.2477 μm H2 line flux in LkHα 264 is derived. 49 Cet does not exhibit H2 emission in any of observed lines. There are a few MMoon of optically thin hot H2 in the inner disk (0.1 AU) of LkHα 264, and less than a tenth of a MMoon of hot H2 in the inner disk of 49 Cet. The shape of the 1 0 S(0) line indicates that LkHα disk is close to face-on (i<35o). The measured 1 0 S(0)/1 0 S(1) and 2 1 S(1)/1 0 S(1) line ratios in LkHα 264 indicate that the H2 is thermally excited at T<1500 K. The lack of H2 emission in the NIR spectra of 49 Cet and the absence of Hα emission suggest that

Continuous probing of cold complex molecules with infrared frequency comb spectroscopy

NASA Astrophysics Data System (ADS)

Spaun, Ben; Changala, P. Bryan; Patterson, David; Bjork, Bryce J.; Heckl, Oliver H.; Doyle, John M.; Ye, Jun

2016-05-01

For more than half a century, high-resolution infrared spectroscopy has played a crucial role in probing molecular structure and dynamics. Such studies have so far been largely restricted to relatively small and simple systems, because at room temperature even molecules of modest size already occupy many millions of rotational/vibrational states, yielding highly congested spectra that are difficult to assign. Targeting more complex molecules requires methods that can record broadband infrared spectra (that is, spanning multiple vibrational bands) with both high resolution and high sensitivity. However, infrared spectroscopic techniques have hitherto been limited either by narrow bandwidth and long acquisition time, or by low sensitivity and resolution. Cavity-enhanced direct frequency comb spectroscopy (CE-DFCS) combines the inherent broad bandwidth and high resolution of an optical frequency comb with the high detection sensitivity provided by a high-finesse enhancement cavity, but it still suffers from spectral congestion. Here we show that this problem can be overcome by using buffer gas cooling to produce continuous, cold samples of molecules that are then subjected to CE-DFCS. This integration allows us to acquire a rotationally resolved direct absorption spectrum in the C-H stretching region of nitromethane, a model system that challenges our understanding of large-amplitude vibrational motion. We have also used this technique on several large organic molecules that are of fundamental spectroscopic and astrochemical relevance, including naphthalene, adamantane and hexamethylenetetramine. These findings establish the value of our approach for studying much larger and more complex molecules than have been probed so far, enabling complex molecules and their kinetics to be studied with orders-of-magnitude improvements in efficiency, spectral resolution and specificity.

Theoretical Infrared Spectra for Polycyclic Aromatic Hydrocarbon Neutrals, Cations and Anions

NASA Technical Reports Server (NTRS)

Langhoff, Stephen R.

1995-01-01

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of the neutrals and cations of thirteen polycyclic aromatic hydrocarbons (PAHs) up to the size of ovalene. Calculations are also carried out for a few PAH anions. The DFT harmonic frequencies, when uniformly scaled by the factor of 0.958 to account primarily for anharmonicity, agree with the matrix isolation fundamentals to within an average error of about 10 per centimeter. Electron correlation is found to significantly reduce the intensities of many of the cation harmonics, bringing them into much better agreement with the available experimental data. While the theoretical infrared spectra agree well with the experimental data for the neutral systems and for many of the cations, there are notable discrepancies with the experimental matrix isolation data for some PAH cations that are difficult to explain in terms of limitations in the calculations. In agreement with previous theoretical work, the present calculations show that the relative intensities for the astronomical unidentified infrared (UIR) bands agree reasonably well with those for a distribution of polycyclic aromatic hydrocarbon (PAH) cations, but not with a distribution of PAH neutrals. We also observe that the infrared spectra of highly symmetrical cations such as coronene agree much better with astronomical observations than do those of, for example, the polyacenes such as tetracene and pentacene. The total integrated intensities for the neutral species are found to increase linearly with size, while the total integrated intensities are much larger for the cations and scale more nearly quadratically with size. We conclude that emission from moderate-sized highly symmetric PAH cations such as coronene and larger could account for the UIR bands.

High Resolution SOFIA/EXES Spectroscopy of CH4 and SO2 toward Massive Young Stellar Objects

NASA Astrophysics Data System (ADS)

Boogert, Abraham C. A.; Richter, Matt; DeWitt, Curtis; Indriolo, Nick; Neufeld, David A.; Karska, Agata; Bergin, Edwin A.; Smith, Rachel L.; Montiel, Edward

2017-01-01

The ro-vibrational transitions of molecules in the near to mid-infrared are excellent tracers of the composition, dynamics, and excitation of the inner regions of Young Stellar Objects (YSOs). They sample a wide range of excitations in a short wavelength range, they can be seen in absorption against strong hot dust continuum sources, and they trace molecules without permanent dipole moment not observable at radio wavelengths. In particular, at high infrared spectral resolution, spatial scales smaller than those imaged by millimeter wave interferometers can be studied dynamically.We present high resolution (R=λ/Δλ˜50,000-100,000 6-12 km/s) infrared (7-8 μm) spectra of massive YSOs observed with the Echelon-Cross-Echelle Spectrograph (EXES) on the Stratospheric Observatory For Infrared Astronomy (SOFIA). Absorption lines of gas phase methane (CH4) are detected in our Cycle 2 observations. CH4 is thought to be a starting point of the formation of carbon chain molecules. Abundances are derived in the different dynamical regions along the sight-line towards the central star by comparing the line profiles to those of CO and other species observed at ground based facilities such as EXES' sister instrument TEXES at IRTF and Gemini. A search is also conducted for sulfur-dioxide, using data from our ongoing Cycle 4 program. SO2 was previously detected towards these massive YSOs with the space-based ISO/SWS instrument (Keane et al. 2001, A&A 376, L5) at much lower spectral resolution (R˜2,000). At high spectral resolution we should be able to pin-point the dynamical location of this SO2 gas. Up to 98% of the sulfur in dense clouds and protostellar envelopes is presently missing, and we are searching for that with the EXES/SOFIA observations.

Coriolis analysis of several high-resolution infrared bands of bicyclo[111]pentane-d0 and -d1

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

Perry, A.; Martin, M. A.; Nibler, J. W.

High resolution infrared absorption spectra have been analyzed for two bicyclo[1.1.1]pentane isotopologues, C5H8 (-d0) and C5H7D (-d1), where in the latter the D-atom replaces a hydrogen on the C3 symmetry axis such that the molecular symmetry is reduced from D3h to C3v. Two (a2") parallel bands, ν17 and ν18, of bicyclopentane-d0 were studied and the former was found to be profoundly affected by Coriolis coupling with the nearby (e') perpendicular band, ν11. Weaker coupling was observed between the ν18 band and the nearby ν13(e') band, for which fewer transitions could be assigned. For bicyclopentane-d1, the ν5 parallel band was alsomore » studied along with the nearby ν15(e') band to which it is coupled through a similar type of Coriolis resonance. For both isotopologues, quantum calculations (B3LYP/cc-pVTZ) done at the anharmonic level were very helpful in unraveling the complexities caused by the Coriolis interactions, provided that care is taken in identifying the effect of any Coriolis resonances in the theoretical values of aB and q rovibrational parameters. The ground state B0 constants were found to be 0.2399412(2) and 0.2267506(11) cm-1 for the -d0 and -d1 isotopologues. The difference yields an Rs substitution value of 2.0309(2) Å for the position of the axial H atom relative to the -d0 center of mass, a result in good accord with a corresponding Ra value of 2.044(6) Å from electron diffraction data. For both isotopologues, the theoretical results from the quantum calculations are in good agreement with all corresponding values determined from the spectra.« less

High-resolution spectra of the 3.29 micron interstellar emission feature - A summary

NASA Technical Reports Server (NTRS)

Tokunaga, A. T.; Sellgren, K.; Smith, R. G.; Nagata, T.; Sakata, A.; Nakada, Y.

1991-01-01

High spectral resolution observations of the 3.29-micron interstellar emission feature show two types of profiles. Type 1 has a central wavelength of 3.289-micron and is observed in extended objects such as planetary nebulae and H II regions. Type 2 has a central wavelength of 3.296 microns and is observed around a small number of stellar sources. Type 2 has a full width at half-maximum of 0.020 micron; Type 1 has a broader FWHM, perhaps as much as 0.042 micron, but this is uncertain because of contamination by Pf(delta) emission. These profiles are tabulated for comparison to laboratory data. It is found that no proposed identification for the 3.29-micron emission feature definitely matches the observational spectra, although amorphous aromatic materials and heated polycyclic aromatic hydrocarbons tend to fit the best.

A high-resolution atlas of the infrared spectrum of the sun and the earth atmosphere from space. A compilation of ATMOS spectra of the region from 650 to 4800 cm-1 (2.3 to 16 microns). Volume 2: Stratosphere and mesosphere, 650 to 3350 cm-1

NASA Technical Reports Server (NTRS)

Farmer, Crofton B.; Norton, Robert H.

1989-01-01

During the period April 29 to May 2, 1985, the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment was operated for the first time, as part of the Spacelab-3 payload of the shuttle Challenger. The principal purpose of this experiment was to study the distributions of the atmosphere's minor and trace molecular constituents. The instrument, a modified Michelson interferometer covering the frequency range from 600 to 5000/cm-1 at a spectral resolution of 0.01/cm-1, recorded infrared absorption spectra of the sun and of the earth's atmosphere at times close to entry into and exit from occultation by the earth's limb. Spectra were obtained that are free from absorptions due to constituents of the atmosphere (i.e., they are pure solar spectra), as well as spectra of the atmosphere itself, covering line-of-sight tangent altitudes that span the range from the lower thermosphere to the bottom of the troposphere. This atlas presents a compilation of these spectra arranged in a hardcopy format suitable for quick-look reference purposes. Volume 2 covers the stratosphere and mesosphere (i.e., tangent altitudes from 20 to 80 km) for frequencies from 650 to 3350/cm-1.

Inference of Surface Parameters from Near-Infrared Spectra of Crystalline H2O Ice with Neural Learning

NASA Astrophysics Data System (ADS)

Zhang, Lili; Merényi, Erzsébet; Grundy, William M.; Young, Eliot F.

2010-07-01

The near-infrared spectra of icy volatiles collected from planetary surfaces can be used to infer surface parameters, which in turn may depend on the recent geologic history. The high dimensionality and complexity of the spectral data, the subtle differences between the spectra, and the highly nonlinear interplay between surface parameters make it often difficult to accurately derive these surface parameters. We use a neural machine, with a Self-Organizing Map (SOM) as its hidden layer, to infer the latent physical parameters, temperature and grain size from near-infrared spectra of crystalline H2O ice. The output layer of the SOM-hybrid machine is customarily trained with only the output from the SOM winner. We show that this scheme prevents simultaneous achievement of high prediction accuracies for both parameters. We propose an innovative neural architecture we call Conjoined Twins that allows multiple (k) SOM winners to participate in the training of the output layer and in which the customization of k can be limited automatically to a small range. With this novel machine we achieve scientifically useful accuracies, 83.0 ± 2.7% and 100.0 ± 0.0%, for temperature and grain size, respectively, from simulated noiseless spectra. We also show that the performance of the neural model is robust under various noisy conditions. A primary application of this prediction capability is planned for spectra returned from the Pluto-Charon system by New Horizons.

[Retrieval of the Optical Thickness and Cloud Top Height of Cirrus Clouds Based on AIRS IR High Spectral Resolution Data].

PubMed

Cao, Ya-nan; Wei, He-li; Dai, Cong-ming; Zhang, Xue-hai

2015-05-01

A study was carried out to retrieve optical thickness and cloud top height of cirrus clouds from the Atmospheric Infrared Sounder (AIRS) high spectral resolution data in 1070~1135 cm-1 IR band using a Combined Atmospheric Radiative Transfer model (CART) by brightness temperature difference between model simulation and AIRS observation. The research is based on AIRS LIB high spectral infrared observation data combined with Moderate Resolution Imaging Spectroradiometer (MODIS) cloud product data. Brightness temperature spectra based, on the retrieved cirrus optical thickness and cloud top height were simulated and compared with brightness temperature spectra of AIRS observation in the 650~1150 cm-1 band. The cirrus optical thickness and cloud top height retrieved were compared with brightness temperature of AIRS for channel 760 (900.56 cm-1, 11. 1 µm) and cirrus reflectance of MODIS cloud product. And cloud top height retrieved was compared with cloud top height from MODIS. Results show that the brightness temperature spectra simulated were basically consistent with AIRS observation under the condition of retrieval in the 650~1150 cm-1 band. It means that CART can be used to simulate AIRS brightness temperature spectra. The retrieved cirrus parameters are consistent with brightness temperature of AIRS for channel 11. 1 µm with low brightness temperature corresponding to large cirrus optical thickness and high cloud top height. And the retrieved cirrus parameters are consistent with cirrus reflectance of MODIS cloud product with high cirrus reflectance corresponding to large cirrus optical thickness and high cloud top height. Correlation coefficient of brightness temperature between retrieved cloud top height and MODIS cloud top height was relatively high. They are mostly located in the range of 8. 5~11.5 km, and their probability distribution trend is approximately identical. CART model is feasible to retrieve cirrus properties, and the retrieval is reliable.

An atlas of high-resolution IRAS maps on nearby galaxies

NASA Technical Reports Server (NTRS)

Rice, Walter

1993-01-01

An atlas of far-infrared IRAS maps with near 1 arcmin angular resolution of 30 optically large galaxies is presented. The high-resolution IRAS maps were produced with the Maximum Correlation Method (MCM) image construction and enhancement technique developed at IPAC. The MCM technique, which recovers the spatial information contained in the overlapping detector data samples of the IRAS all-sky survey scans, is outlined and tests to verify the structural reliability and photometric integrity of the high-resolution maps are presented. The infrared structure revealed in individual galaxies is discussed. The atlas complements the IRAS Nearby Galaxy High-Resolution Image Atlas, the high-resolution galaxy images encoded in FITS format, which is provided to the astronomical community as an IPAC product.

The supersoft X-ray source in V5116 Sagittarii. I. The high resolution spectra

NASA Astrophysics Data System (ADS)

Sala, G.; Ness, J. U.; Hernanz, M.; Greiner, J.

2017-05-01

Context. Classical nova explosions occur on the surface of an accreting white dwarf in a binary system. After ejection of a fraction of the envelope and when the expanding shell becomes optically thin to X-rays, a bright source of supersoft X-rays arises, powered by residual H burning on the surface of the white dwarf. While the general picture of the nova event is well established, the details and balance of accretion and ejection processes in classical novae are still full of unknowns. The long-term balance of accreted matter is of special interest for massive accreting white dwarfs, which may be promising supernova Ia progenitor candidates. Nova V5116 Sgr 2005b was observed as a bright and variable supersoft X-ray source by XMM-Newton in March 2007, 610 days after outburst. The light curve showed a periodicity consistent with the orbital period. During one third of the orbit the luminosity was a factor of seven brighter than during the other two thirds of the orbital period. Aims: In the present work we aim to disentangle the X-ray spectral components of V5116 Sgr and their variability. Methods: We present the high resolution spectra obtained with XMM-Newton RGS and Chandra LETGS/HRC-S in March and August 2007. Results: The grating spectrum during the periods of high-flux shows a typical hot white dwarf atmosphere dominated by absorption lines of N VI and N VII. During the low-flux periods, the spectrum is dominated by an atmosphere with the same temperature as during the high-flux period, but with several emission features superimposed. Some of the emission lines are well modeled with an optically thin plasma in collisional equilibrium, rich in C and N, which also explains some excess in the spectra of the high-flux period. No velocity shifts are observed in the absorption lines, with an upper limit set by the spectral resolution of 500 km s-1, consistent with the expectation of a non-expanding atmosphere so late in the evolution of the post-nova. Based on

Infrared and Raman spectra of triacetoxyvinylsilane, aqueous sol-gel and xerogel

NASA Astrophysics Data System (ADS)

Li, Ying-Sing; Ba, Abdul; Mahmood, Maleeha S.

2009-04-01

Triacetoxyvinylsilane (TAVS) has been used as a precursor to prepare sol-gel under aqueous conditions. The sol-gel product has been applied for the surface treatment of aluminum. Infrared and Raman spectra have been collected for TAVS and for TAVS sol-gel, xerogel and sol-gel-coated aluminum. Vibrational analyses have been suggested for the recorded spectra based essentially on the group frequencies and the spectral variation with the change of the sol-gel product states and the vibrational assignments of similar molecules. From the recorded infrared and Raman spectra of the sol-gel and xerogel, it is found that the sol-gel produced in the process with TAVS is essentially the same as that prepared from vinyltriethoxysilane. Thermo-gravimetric analysis (TGA) of TAVS xerogel has been conducted, and an explanation has been given in coordination with the results obtained from IR spectroscopic study of the xerogels cured at different temperatures. The study has demonstrated the thermal effect on the condensation of the sol-gel process and on the vinyl decomposition of TAVS xerogel.

Observation of several chlorine nitrate (ClONO2) bands in stratospheric infrared spectra

NASA Technical Reports Server (NTRS)

Zander, R.; Rinsland, C. P.; Farmer, C. B.; Brown, L. R.; Norton, R. H.

1986-01-01

Four of the most prominent and sharpest infrared absorption features of chlorine nitrate at 780.2, 807.7, 809.4, and 1292.6/cm have been observed in a series of infrared solar spectra obtained at an unapodized spectral resolution of 0.01/cm, using the Atmospheric Trace Molecule Spectroscopy instrument from on-board Sapcelab 3. A quantitative analysis of the nu4 Q branch at 780.2/cm has provided insight into the concentration of ClONO2 between 19 and 40 km altitude. While the mean profile deduced from three sunset occultations near 30 deg N latitude exhibits a shape close to that predicted by model calculations, its concentrations in the 20 to 32 km altitude range are, however, about 30 percent larger, reaching a peak concentration of 9 x 10 to the 8th molecules/cu cm at 25 km. The concentrations above 32 km, deduced from one sunrise occultation at 47 deg JS, are even larger than the corresponding sunset values at 30 deg N latitude. Some of these discrepancies may be caused by the rather large uncertainty in the assumed Q branch strength.

Pre-processing liquid chromatography/high-resolution mass spectrometry data: extracting pure mass spectra by deconvolution from the invariance of isotopic distribution.

PubMed

Krishnan, Shaji; Verheij, Elwin E R; Bas, Richard C; Hendriks, Margriet W B; Hankemeier, Thomas; Thissen, Uwe; Coulier, Leon

2013-05-15

Mass spectra obtained by deconvolution of liquid chromatography/high-resolution mass spectrometry (LC/HRMS) data can be impaired by non-informative mass-over-charge (m/z) channels. This impairment of mass spectra can have significant negative influence on further post-processing, like quantification and identification. A metric derived from the knowledge of errors in isotopic distribution patterns, and quality of the signal within a pre-defined mass chromatogram block, has been developed to pre-select all informative m/z channels. This procedure results in the clean-up of deconvoluted mass spectra by maintaining the intensity counts from m/z channels that originate from a specific compound/molecular ion, for example, molecular ion, adducts, (13) C-isotopes, multiply charged ions and removing all m/z channels that are not related to the specific peak. The methodology has been successfully demonstrated for two sets of high-resolution LC/MS data. The approach described is therefore thought to be a useful tool in the automatic processing of LC/HRMS data. It clearly shows the advantages compared to other approaches like peak picking and de-isotoping in the sense that all information is retained while non-informative data is removed automatically. Copyright © 2013 John Wiley & Sons, Ltd.

Using radiative transfer models to study the atmospheric water vapor content and to eliminate telluric lines from high-resolution optical spectra

NASA Astrophysics Data System (ADS)

Gardini, A.; Maíz Apellániz, J.; Pérez, E.; Quesada, J. A.; Funke, B.

2013-05-01

The Radiative Transfer Model (RTM) and the retrieval algorithm, incorporated in the SCIATRAN 2.2 software package developed at the Institute of Remote Sensing/Institute of Enviromental Physics of Bremen University (Germany), allows to simulate, among other things, radiance/irradiance spectra in the 2400--24 000 Å range. In this work we present applications of RTM to two case studies. In the first case the RTM was used to simulate direct solar irradiance spectra, with different water vapor amounts, for the study of the water vapor content in the atmosphere above Sierra Nevada Observatory. Simulated spectra were compared with those measured with a spectrometer operating in the 8000--10 000 Å range. In the second case the RTM was used to generate telluric model spectra to subtract the atmospheric contribution and correct high-resolution stellar spectra from atmospheric water vapor and oxygen lines. The results of both studies are discussed.

Experimental studies of the far-infrared spectra of cosmic-type ices

NASA Technical Reports Server (NTRS)

Hudson, Reggie L.

1992-01-01

Work performed during the period is reported. The abstract of a paper presented at the Second International Workshop on the Nature of Cometary Organic Matter is included. Far infrared spectra of amorphous and crystalline water ice before and after proton irradiation is presented. Also, a study of clathrate hydrates was conducted in which a methanol (CH3OH) clathrate hydrate was prepared and its far-infrared spectrum investigated. This paper is also included.

High-resolution synchrotron infrared spectroscopy of thiophosgene: The ν2 and ν4 fundamental bands near 500 cm -1

NASA Astrophysics Data System (ADS)

McKellar, A. R. W.; Billinghurst, B. E.

2010-03-01

Thiophosgene (Cl 2CS) is a favorite model system for studies of photophysics, vibrational dynamics, and intersystem interaction effects. But there are no previous rotationally-resolved infrared studies because the spectra are very congested due to hot bands and multiple isotopic species. This paper reports a detailed study of the ν2 (˜504 cm -1) and ν4 (˜471 cm -1) fundamental bands for the two most abundant isotopomers, 35Cl 2CS and 35Cl 37ClCS, based on spectra with observed line widths of ˜0.0008 cm -1 obtained at the Canadian Light Source far-infrared beamline using synchrotron radiation and a Bruker IFS125 Fourier transform spectrometer.

Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation Products

NASA Astrophysics Data System (ADS)

Schollée, Jennifer E.; Schymanski, Emma L.; Stravs, Michael A.; Gulde, Rebekka; Thomaidis, Nikolaos S.; Hollender, Juliane

2017-12-01

High-resolution tandem mass spectrometry (HRMS2) with electrospray ionization is frequently applied to study polar organic molecules such as micropollutants. Fragmentation provides structural information to confirm structures of known compounds or propose structures of unknown compounds. Similarity of HRMS2 spectra between structurally related compounds has been suggested to facilitate identification of unknown compounds. To test this hypothesis, the similarity of reference standard HRMS2 spectra was calculated for 243 pairs of micropollutants and their structurally related transformation products (TPs); for comparison, spectral similarity was also calculated for 219 pairs of unrelated compounds. Spectra were measured on Orbitrap and QTOF mass spectrometers and similarity was calculated with the dot product. The influence of different factors on spectral similarity [e.g., normalized collision energy (NCE), merging fragments from all NCEs, and shifting fragments by the mass difference of the pair] was considered. Spectral similarity increased at higher NCEs and highest similarity scores for related pairs were obtained with merged spectra including measured fragments and shifted fragments. Removal of the monoisotopic peak was critical to reduce false positives. Using a spectral similarity score threshold of 0.52, 40% of related pairs and 0% of unrelated pairs were above this value. Structural similarity was estimated with the Tanimoto coefficient and pairs with higher structural similarity generally had higher spectral similarity. Pairs where one or both compounds contained heteroatoms such as sulfur often resulted in dissimilar spectra. This work demonstrates that HRMS2 spectral similarity may indicate structural similarity and that spectral similarity can be used in the future to screen complex samples for related compounds such as micropollutants and TPs, assisting in the prioritization of non-target compounds. [Figure not available: see fulltext.

Quantitative infrared and near-infrared gas-phase spectra for pyridine: Absolute intensities and vibrational assignments

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

Johnson, T. J.; Aker, P. M.; Scharko, N. K.

Using vetted methods for generating quantitative absorption reference data, broadband infrared and near-infrared spectra (total range 11,000 – 600 cm-1) of pyridine vapor were recorded at 0.1 cm-1 spectral resolution, with the analyte thermostatted at 298 K and pressure-broadened to 1 atmosphere using N2 ballast gas. The quantitative spectrum is reported for the first time, and we have re-assigned some of the 27 fundamental modes. Fundamental assignments were confirmed by IR vapor phase band shapes, FT-Raman measurements and comparison with previous analyses. For the 760-Torr vapor-phase IR data several bands show resolved peaks (Q-branches). We have also assigned for themore » first time hundreds of combination and overtone bands in the mid- and near-IR. All assignments were made via comparison to theoretically calculated frequencies and intensities: The frequencies were computed with Gaussian03 with the anharmonic option, using MP2 and the ccpvtz basis set. The intensities were taken from a VSCF calculation in GAMESS using Hartree-Fock (for overtones and combination bands) or from the harmonic MP2 for fundamentals. Overtone and combination band harmonic and anharmonic frequencies, as well as intensities were also calculated using the CFOUR program. It is seen in the NIR spectrum near 6000 cm-1 that the very strong bands arise from the C-H first overtones, whereas only much weaker bands are observed for combination bands of C-H stretching modes. Certain features are discussed for their potential utility for atmospheric monitoring.« less

Multi-Sensor Fusion of Infrared and Electro-Optic Signals for High Resolution Night Images

PubMed Central

Huang, Xiaopeng; Netravali, Ravi; Man, Hong; Lawrence, Victor

2012-01-01

Electro-optic (EO) image sensors exhibit the properties of high resolution and low noise level at daytime, but they do not work in dark environments. Infrared (IR) image sensors exhibit poor resolution and cannot separate objects with similar temperature. Therefore, we propose a novel framework of IR image enhancement based on the information (e.g., edge) from EO images, which improves the resolution of IR images and helps us distinguish objects at night. Our framework superimposing/blending the edges of the EO image onto the corresponding transformed IR image improves their resolution. In this framework, we adopt the theoretical point spread function (PSF) proposed by Hardie et al. for the IR image, which has the modulation transfer function (MTF) of a uniform detector array and the incoherent optical transfer function (OTF) of diffraction-limited optics. In addition, we design an inverse filter for the proposed PSF and use it for the IR image transformation. The framework requires four main steps: (1) inverse filter-based IR image transformation; (2) EO image edge detection; (3) registration; and (4) blending/superimposing of the obtained image pair. Simulation results show both blended and superimposed IR images, and demonstrate that blended IR images have better quality over the superimposed images. Additionally, based on the same steps, simulation result shows a blended IR image of better quality when only the original IR image is available. PMID:23112602

Multi-sensor fusion of infrared and electro-optic signals for high resolution night images.

PubMed

Huang, Xiaopeng; Netravali, Ravi; Man, Hong; Lawrence, Victor

2012-01-01

Electro-optic (EO) image sensors exhibit the properties of high resolution and low noise level at daytime, but they do not work in dark environments. Infrared (IR) image sensors exhibit poor resolution and cannot separate objects with similar temperature. Therefore, we propose a novel framework of IR image enhancement based on the information (e.g., edge) from EO images, which improves the resolution of IR images and helps us distinguish objects at night. Our framework superimposing/blending the edges of the EO image onto the corresponding transformed IR image improves their resolution. In this framework, we adopt the theoretical point spread function (PSF) proposed by Hardie et al. for the IR image, which has the modulation transfer function (MTF) of a uniform detector array and the incoherent optical transfer function (OTF) of diffraction-limited optics. In addition, we design an inverse filter for the proposed PSF and use it for the IR image transformation. The framework requires four main steps: (1) inverse filter-based IR image transformation; (2) EO image edge detection; (3) registration; and (4) blending/superimposing of the obtained image pair. Simulation results show both blended and superimposed IR images, and demonstrate that blended IR images have better quality over the superimposed images. Additionally, based on the same steps, simulation result shows a blended IR image of better quality when only the original IR image is available.

High-resolution spectra of stars in globular clusters. VI - Oxygen-deficient red giant stars in M13

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

Brown, J.A.; Wallerstein, G.; Oke, J.B.

From high-resolution, high signal-to-noise spectra, abundances of carbon, nitrogen, and oxygen and the C-12/C-13 ratio for five red giants in M13, including star II-67, which has previously been reported to be deficient in oxygen have been determined. Three of the five stars exhibit substantial oxygen deficiencies; O/Fe values range from +0.5 to less than about 0.3. The sum of the CNO nuclides is the same for all stars, which is interpreted as evidence that mixing of CNO-cycled material into the envelope is the cause of the variations in oxygen abundance. 41 refs.

Multivariate classification of the infrared spectra of cell and tissue samples

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

Haaland, D.M.; Jones, H.D.; Thomas, E.V.

1997-03-01

Infrared microspectroscopy of biopsied canine lymph cells and tissue was performed to investigate the possibility of using IR spectra coupled with multivariate classification methods to classify the samples as normal, hyperplastic, or neoplastic (malignant). IR spectra were obtained in transmission mode through BaF{sub 2} windows and in reflection mode from samples prepared on gold-coated microscope slides. Cytology and histopathology samples were prepared by a variety of methods to identify the optimal methods of sample preparation. Cytospinning procedures that yielded a monolayer of cells on the BaF{sub 2} windows produced a limited set of IR transmission spectra. These transmission spectra weremore » converted to absorbance and formed the basis for a classification rule that yielded 100{percent} correct classification in a cross-validated context. Classifications of normal, hyperplastic, and neoplastic cell sample spectra were achieved by using both partial least-squares (PLS) and principal component regression (PCR) classification methods. Linear discriminant analysis applied to principal components obtained from the spectral data yielded a small number of misclassifications. PLS weight loading vectors yield valuable qualitative insight into the molecular changes that are responsible for the success of the infrared classification. These successful classification results show promise for assisting pathologists in the diagnosis of cell types and offer future potential for {ital in vivo} IR detection of some types of cancer. {copyright} {ital 1997} {ital Society for Applied Spectroscopy}« less

Comparison of visible and near-infrared reflectance spectra of CM2 carbonaceous chondrites and primitive asteroids

NASA Technical Reports Server (NTRS)

Vilas, F.; Hiroi, T.; Zolensky, M. E.

1993-01-01

Spectra of primitive asteroids (defined as C, P, and D classes and associated subclasses) were compared to the limited number of spectra of CM2 carbonaceous chondrites. An absorption feature located at 0.7 microns attributed to an Fe(+2) - Fe(+3) charge transfer absorption in iron oxides in phyllosilicates is apparent in some of the CM2 carbonaceous chondrite spectra and many of the asteroid spectra. Sawyer found a correlation between the area of the 0.7 micron feature and the mean semimajor axis of the asteroids. Spectra of a larger sample of carbonaceous chondrites, including 7 CM2 chondrites, covering a spectral interval of 0.30-2.5 microns were recently obtained using the Relab instrument at Brown University. These spectra were compared with spectrophotometric asteroid observations in a separate abstract. Those spectra of CM2 chondrites were isolated into the UV, visible and near-infrared spectral regions in order to compare them with high-quality narrowband reflectance spectra.

THE EXTENDED HIGH A ( V ) QUASAR SURVEY: SEARCHING FOR DUSTY ABSORBERS TOWARD MID-INFRARED-SELECTED QUASARS

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

Krogager, J.-K.; Noterdaeme, P.; Fynbo, J. P. U.

2016-11-20

We present the results of a new spectroscopic survey for dusty intervening absorption systems, particularly damped Ly α absorbers (DLAs), toward reddened quasars. The candidate quasars are selected from mid-infrared photometry from the Wide-field Infrared Survey Explorer combined with optical and near-infrared photometry. Out of 1073 candidates, we secure low-resolution spectra for 108 using the Nordic Optical Telescope on La Palma, Spain. Based on the spectra, we are able to classify 100 of the 108 targets as quasars. A large fraction (50%) is observed to have broad absorption lines (BALs). Moreover, we find six quasars with strange breaks in theirmore » spectra, which are not consistent with regular dust reddening. Using template fitting, we infer the amount of reddening along each line of sight ranging from A ( V ) ≈ 0.1 to 1.2 mag (assuming a Small Magellanic Cloud extinction curve). In four cases, the reddening is consistent with dust exhibiting the 2175 Å feature caused by an intervening absorber, and for two of these, an Mg ii absorption system is observed at the best-fit absorption redshift. In the rest of the cases, the reddening is most likely intrinsic to the quasar. We observe no evidence for dusty DLAs in this survey. However, the large fraction of BAL quasars hampers the detection of absorption systems. Out of the 50 non-BAL quasars, only 28 have sufficiently high redshift to detect Ly α in absorption.« less

Synchrotron Based Fourier Transform Far-Infrared Spectroscopy of CH3NO2

NASA Astrophysics Data System (ADS)

Twagirayezu, Sylvestre; Billinghurst, Brant E.; May, Tim; Dawadi, Mahesh B.; Perry, David S.

2013-06-01

As a slightly asymmetric top molecule (κ = 0.25) with both a free internal rotor and a methyl group, CH_3NO_2 is a benchmark system for studies of torsional motion in a 6-fold potential and of the coupling between a large amplitude vibration and other small-amplitude vibrations. For this purpose, rotationally resolved infrared spectra of CH_3NO_2, have been recorded using the Far-Infrared beamline at the Canadian Light Source, which is equipped with a high resolution Bruker IFS 125HR spectrometer. The observed infrared spectra, in the range 550-1000cm^{-1}, are the average of 300 interferometer scans collected at a nominal resolution of 0.00096cm^{-1}. Two a-type bands, centered at 657.08cm^{-1}for NO symmetric bend and at 917.99cm^{-1}for CN-stretch, have been measured. The initial analysis of a number of torsional states is currently being carried out and the progress will be reported in this talk.

Depth-resolved mid-infrared photothermal imaging of living cells and organisms with submicrometer spatial resolution

PubMed Central

Zhang, Delong; Li, Chen; Zhang, Chi; Slipchenko, Mikhail N.; Eakins, Gregory; Cheng, Ji-Xin

2016-01-01

Chemical contrast has long been sought for label-free visualization of biomolecules and materials in complex living systems. Although infrared spectroscopic imaging has come a long way in this direction, it is thus far only applicable to dried tissues because of the strong infrared absorption by water. It also suffers from low spatial resolution due to long wavelengths and lacks optical sectioning capabilities. We overcome these limitations through sensing vibrational absorption–induced photothermal effect by a visible laser beam. Our mid-infrared photothermal (MIP) approach reached 10 μM detection sensitivity and submicrometer lateral spatial resolution. This performance has exceeded the diffraction limit of infrared microscopy and allowed label-free three-dimensional chemical imaging of live cells and organisms. Distributions of endogenous lipid and exogenous drug inside single cells were visualized. We further demonstrated in vivo MIP imaging of lipids and proteins in Caenorhabditis elegans. The reported MIP imaging technology promises broad applications from monitoring metabolic activities to high-resolution mapping of drug molecules in living systems, which are beyond the reach of current infrared microscopy. PMID:27704043

Depth-resolved mid-infrared photothermal imaging of living cells and organisms with submicrometer spatial resolution.

PubMed

Zhang, Delong; Li, Chen; Zhang, Chi; Slipchenko, Mikhail N; Eakins, Gregory; Cheng, Ji-Xin

2016-09-01

Chemical contrast has long been sought for label-free visualization of biomolecules and materials in complex living systems. Although infrared spectroscopic imaging has come a long way in this direction, it is thus far only applicable to dried tissues because of the strong infrared absorption by water. It also suffers from low spatial resolution due to long wavelengths and lacks optical sectioning capabilities. We overcome these limitations through sensing vibrational absorption-induced photothermal effect by a visible laser beam. Our mid-infrared photothermal (MIP) approach reached 10 μM detection sensitivity and submicrometer lateral spatial resolution. This performance has exceeded the diffraction limit of infrared microscopy and allowed label-free three-dimensional chemical imaging of live cells and organisms. Distributions of endogenous lipid and exogenous drug inside single cells were visualized. We further demonstrated in vivo MIP imaging of lipids and proteins in Caenorhabditis elegans . The reported MIP imaging technology promises broad applications from monitoring metabolic activities to high-resolution mapping of drug molecules in living systems, which are beyond the reach of current infrared microscopy.

High resolution jet-cooled infrared absorption spectra of (HCOOH)2, (HCOOD)2, and HCOOH—HCOOD complexes in 7.2 μm region

NASA Astrophysics Data System (ADS)

Zhang, Yuluan; Li, Wenguang; Luo, Wei; Zhu, Yu; Duan, Chuanxi

2017-06-01

The rotationally resolved infrared spectra of (HCOOH)2, (HCOOD)2, and HCOOH—HCOOD complexes have been measured in 7.2 μm region by using a segmented rapid-scan distributed-feedback quantum cascade laser absorption spectrometer to probe a slit supersonic jet expansion. The observed spectra are assigned to the v21 (H—C/O—H in-plane bending) fundamental band of (HCOOH)2, the v15 (H—C/O—D in-plane bending) fundamental band of HCOOH—HCOOD, and the v20 (H—C—O in-plane bending) fundamental band of (HCOOD)2. Strong local perturbations caused by the rotation-tunneling coupling between two tunneling components are observed in (HCOOH)2. The v21 fundamental band of (HCOOH)2 and the previously measured v22 fundamental and v12 + v14 combination bands [K. G. Goroya et al., J. Chem. Phys. 140, 164311 (2014)] are analyzed together, yielding a more precise tunneling splitting in the ground state, 0.011 367(92) cm-1. The band-origin of the v21 band of (HCOOH)2 is 1371.776 74(8) cm-1, and the tunneling splitting decreases to 0.000 38(18) cm-1 upon the vibrational excitation. The vibrational energy is 1386.755 49(16) cm-1 for the v15 vibrational mode of HCOOH—HCOOD and 1391.084 39(17) cm-1 for the v20 vibrational mode of (HCOOD)2. No apparent spectral splittings are resolved for HCOOH—HCOOD and (HCOOD)2 under our experimental conditions. The tunneling splitting in the ground state of HCOOH—HCOOD is estimated to be 0.001 13 cm-1 from its average linewidth.

High resolution X-ray spectra of solar flares. V - Interpretation of inner-shell transitions in Fe XX-Fe XXIII

NASA Technical Reports Server (NTRS)

Doschek, G. A.; Feldman, U.; Cowan, R. D.

1981-01-01

The paper examines high-resolution solar flare iron line spectra recorded between 1.82 and 1.97 A by a spectrometer flown by the Naval Research Laboratory on an Air Force spacecraft launched on 1979 February 24. The emission line spectrum is due to inner-shell transitions in the ions Fe XX-Fe XXV. Using theoretical spectra and calculations of line intensities obtained by methods discussed by Merts, Cowan, and Magee (1976), electron temperatures as a function of time for two large class X flares are derived. These temperatures are deduced from intensities of lines of Fe XXII, Fe XXIII, and Fe XXIV. The determination of the differential emission measure between about 12-million and 20-million K using these temperatures is considered. The possibility of determining electron densities in flare and tokamak plasmas using the inner-shell spectra of Fe XXI and Fe XX is discussed.

Deriving chlorophyll fluorescence emissions of vegetation canopies from high resolution field reflectance spectra

NASA Astrophysics Data System (ADS)

Middleton, Elizabeth M.; Corp, Lawrence A.; Daughtry, Craig S.; Entcheva Campbell, Petya K.; Butcher, L. Maryn

2005-11-01

Fluorescence of foliage in the laboratory has proven more rigorous than reflectance for correlation to plant physiology. Especially useful are emissions produced from two stable red and far-red chlorophyll fluorescence (ChlF) peaks centered at 685 nm and 735 nm. Methods have been developed elsewhere to extract steady state solar induced fluorescence (SIF) from apparent reflectance of vegetation canopies/landscapes using the Fraunhofer Line Depth (FLD) principal. Our study utilized these methods in conjunction with field-acquired high spectral resolution canopy reflectance spectra obtained in 2004 and 2005 over corn crops and small tree plots of three deciduous species (red maple, tulip poplar, sweet gum). Leaf level measurements were also made of foliage which included ChlF, photosynthesis, and leaf constituents (photosynthetic pigment, carbon (C), and nitrogen (N) contents). As part of ongoing experiments, measurements were made on N application plots within corn (280, 140, 70, and 0 kg N/ha) and tree (0, 37.5, 75, 112.5, 150 kg N /ha) sites at the USDA/Agriculture Research Service in Beltsville, MD. SIF intensities for ChlF were derived directly from canopy reflectance spectra in specific narrow- band regions associated with atmospheric oxygen absorption features centered at 688 and 760 nm. The red/far-red SIF ratio (SIFratio) derived from these field reflectance spectra successfully discriminated foliar pigment ratios altered by N application rates in both corn crops. This ratio was also positively correlated to the C/N ratio at leaf and canopy levels, for the available corn data (e.g., 2004). No consistent N treatment or species differences in SIF were detected in the tree foliage, but additional 2005 data are forthcoming. This study has relevance to future passive satellite remote sensing approaches to monitoring C dynamics from space.

Emission Lines in the Near-infrared Spectra of the Infrared Quintuplet Stars in the Galactic Center

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

Najarro, F.; Geballe, T. R.; Figer, D. F.

We report the detection of a number of emission lines in the 1.0–2.4 μ m spectra of four of the five bright-infrared dust-embedded stars at the center of the Galactic center’s (GC) Quintuplet Cluster. Spectroscopy of the central stars of these objects is hampered not only by the large interstellar extinction that obscures all of the objects in the GC, but also by the large amounts of warm circumstellar dust surrounding each of the five stars. The pinwheel morphologies of the dust observed previously around two of them are indicative of Wolf–Rayet colliding wind binaries; however, infrared spectra of eachmore » of the five have until now revealed only dust continua steeply rising to long wavelengths and absorption lines and bands from interstellar gas and dust. The emission lines detected, from ionized carbon and from helium, are broad and confirm that the objects are dusty late-type carbon Wolf–Rayet stars.« less

Theoretical modeling of infrared spectra of aspirin and its deuterated derivative

NASA Astrophysics Data System (ADS)

Boczar, Marek; Wójcik, Marek J.; Szczeponek, Krzysztof; Jamróz, Dorota; Zi e̡ba, Adam; Kawałek, Bożena

2003-01-01

Theoretical simulation of the νs stretching band is presented for aspirin (acetylsalicylic acid) and its OD derivative at 300 and 77 K. The simulation takes into account an adiabatic coupling between the high-frequency O-H(D) stretching and the low-frequency intermolecular O⋯O stretching modes, linear and quadratic distortions of the potential energy for the low-frequency vibrations in the excited state of the O-H(D) stretching vibration, resonance interaction between two hydrogen bonds in the dimer, and Fermi resonance between the O-H(D) stretching and the overtone of the O-H(D) bending vibrations. The effect of deuteration and the temperature has been successfully reproduced by our model calculations. Infrared, far-infrared, Raman and low-frequency Raman spectra of the polycrystalline aspirin have been measured. The geometry and experimental frequencies are compared with the results of our B3LYP/6-31++G** calculations.

High Resolution Spectroscopy to Support Atmospheric Measurements

NASA Technical Reports Server (NTRS)

Venkataraman, Malathy Devi

2006-01-01

The major research activities performed during the cooperative agreement enhanced our spectroscopic knowledge of molecules of atmospheric interest such as H2O (water vapor), O3 (ozone), HCN (hydrogen cyanide), CH4 (methane), NO2 (nitrogen dioxide) and CO (carbon monoxide). The data required for the analyses were obtained from two different Fourier Transform Spectrometers (FTS); one of which is located at the National Solar Observatory (NSO) on Kitt Peak, Arizona and the other instrument is located at the Pacific Northwest National Laboratories (PNNL) at Richland, Washington. The data were analyzed using a modified multispectrum nonlinear least squares fitting algorithm developed by Dr. D. Chris Benner of the College of William and Mary. The results from these studies made significant improvements in the line positons and intensities for these molecules. The measurements of pressure broadening and pressure induced line shift coefficients and the temperature dependence of pressure broadening and pressure induced shift coefficients for hundreds of infrared transitions of HCN, CO3 CH4 and H2O were also performed during this period. Results from these studies have been used for retrievals of stratospheric gas concentration profiles from data collected by several Upper Atmospheric Research Satellite (UARS) infrared instruments as well as in the analysis of high resolution atmospheric spectra such as those acquired by space-based, ground-based, and various balloon- and aircraft-borne experiments. Our results made significant contributions in several updates of the HITRAN (HIgh resolution TRANsmission) spectral line parameters database. This database enjoys worldwide recognition in research involving diversified scientific fields. The research conducted during the period 2003-2006 has resulted in publications given in this paper. In addition to Journal publications, several oral and poster presentations were given at various Scientific conferences within the United States

First-principles study of the infrared spectra of the ice Ih (0001) surface

DOE PAGES

Pham, T. Anh; Huang, P.; Schwegler, E.; ...

2012-08-22

Here, we present a study of the infrared (IR) spectra of the (0001) deuterated ice surface based on first-principles molecular dynamics simulations. The computed spectra show a good agreement with available experimental IR measurements. We identified the bonding configurations associated with specific features in the spectra, allowing us to provide a detailed interpretation of IR signals. We computed the spectra of several proton ordered and disordered models of the (0001) surface of ice, and we found that IR spectra do not appear to be a sensitive probe of the microscopic arrangement of protons at ice surfaces.

Infrared spectra alteration in water proximate to the palms of therapeutic practitioners.

PubMed

Schwartz, Stephan A; De Mattei, Randall J; Brame, Edward G; Spottiswoode, S James P

2015-01-01

Through standard techniques of infrared (IR) spectrophotometry, sterile water samples in randomly selected sealed vials evidence alteration of infrared (IR) spectra after being proximate to the palms of the hands of both Practicing and Non-practicing Therapy Practitioners, each of whom employed a personal variation of the Laying-on-of-Hands/Therapeutic Touch processes. This pilot study presents 14 cases, involving 14 Practitioners and 14 Recipients. The first hypothesis, that a variation in the spectra of all (84) Treated spectra compared with all (57) Control spectra would be observed in the 2.5-3.0µm range, was confirmed (P = .02). Overall, 10% (15) of the spectra were done using a germanium internal reflection element (IRE), and 90% of the spectra (126) were done with a zinc selenide IRE. The difference in refractive index between the two IREs skews the data. The zinc selenide IRE spectra alone yield P = .005. The authors believe the most representative evidence for the effect appeared in the sample group of Treated vs Calibration Controls using the zinc selenide IRE (P = .0004). The second hypothesis, that there existed a direct relationship between intensity of effect and time of exposure, was not confirmed. This study replicates earlier findings under conditions of blindness, randomicity, and several levels of controls. Environmental factors are considered as explanations for the observed IR spectrum alteration, including temperature, barometric pressure, and variations dependent on sampling order. They do not appear to explain the effect. Copyright © 2015. Published by Elsevier Inc.

High-resolution vacuum-ultraviolet photoabsorption spectra of 1-butyne and 2-butyne

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

Jacovella, U.; Holland, D. M. P.; Boyé-Péronne, S.

2015-07-21

The absolute photoabsorption cross sections of 1- and 2-butyne have been recorded at high resolution by using the vacuum-ultraviolet Fourier-Transform spectrometer at the SOLEIL Synchrotron. Both spectra show more resolved structure than previously observed, especially in the case of 2-butyne. In this work, we assess the potential importance of Rydberg states with higher values of orbital angular momentum, l, than are typically observed in photoabsorption experiments from ground state molecules. We show how the character of the highest occupied molecular orbitals in 1- and 2-butyne suggests the potential importance of transitions to such high-l (l = 3 and 4) Rydbergmore » states. Furthermore, we use theoretical calculations of the partial wave composition of the absorption cross section just above the ionization threshold and the principle of continuity of oscillator strength through an ionization threshold to support this conclusion. The new absolute photoabsorption cross sections are discussed in light of these arguments, and the results are consistent with the expectations. This type of argument should be valuable for assessing the potential importance of different Rydberg series when sufficiently accurate direct quantum chemical calculations are difficult, for example, in the n ≥ 5 manifolds of excited states of larger molecules.« less

MARVEL analysis of the measured high-resolution spectra of 14NH3

NASA Astrophysics Data System (ADS)

Al Derzi, Afaf R.; Furtenbacher, Tibor; Tennyson, Jonathan; Yurchenko, Sergei N.; Császár, Attila G.

2015-08-01

Accurate, experimental rotational-vibrational energy levels and line positions, with associated labels and uncertainties, are reported for the ground electronic state of the symmetric-top 14NH3 molecule. All levels and lines are based on critically reviewed and validated high-resolution experimental spectra taken from 56 literature sources. The transition data are in the 0.7-17 000 cm-1 region, with a large gap between 7000 and 15 000 cm-1. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) algorithm is used to determine the energy levels. Out of the 29 450 measured transitions 10 041 and 18 947 belong to ortho- and para-14NH3, respectively. A careful analysis of the related experimental spectroscopic network (SN) allows 28 530 of the measured transitions to be validated, 18 178 of these are unique, while 462 transitions belong to floating components. Despite the large number of spectroscopic measurements published over the last 80 years, the transitions determine only 30 vibrational band origins of 14NH3, 8 for ortho- and 22 for para-14NH3. The highest J value, where J stands for the rotational quantum number, for which an energy level is validated is 31. The number of experimental-quality ortho- and para-14NH3 rovibrational energy levels is 1724 and 3237, respectively. The MARVEL energy levels are checked against ones in the BYTe first-principles database, determined previously. The lists of validated lines and levels for 14NH3 are deposited in the Supporting Information to this paper. Combination of the MARVEL energy levels with first-principles absorption intensities yields a huge number of experimental-quality rovibrational lines, which should prove to be useful for the understanding of future complex high-resolution spectroscopy on 14NH3; these lines are also deposited in the Supporting Information to this paper.

Stratospheric HBr mixing ratio obtained from far infrared emission spectra

NASA Technical Reports Server (NTRS)

Park, J. H.; Carli, B.; Barbis, A.

1989-01-01

Emission features of HBr isotopes have been identified in high-resolution FIR emission spectra obtained with a balloon-borne Fourier-transform spectrometer in the spring of 1979 at 32 deg N latitude. When six single-scan spectra at a zenith angle of 93.2 deg were averaged, two features of HBr isotopes at 50.054 and 50.069/cm were obtained with a signal-to-noise ratio of 2.5. The volume mixing ratio retrieved from the average spectrum is 2.0 x 10 to the -11th, which is assumed to be constant above 28 km, with an uncertainty of 35 percent. This stratospheric amount of HBr is about the same as the current level of tropospheric organic bromine compounds, 25 pptv. Thus HBr could be the major stratospheric bromine species.

Heavy Ozone Enrichments from ATMOS Infrared Solar Spectra

NASA Technical Reports Server (NTRS)

Irion, F. W.; Gunson, M. R.; Rinsland, C. P.; Yung, Y. L.; Abrams, M. C.; Chang, A. Y.; Goldman, A.

1996-01-01

Vertical enrichment profiles of stratospheric O-16O-16O-18 and O-16O-18O-16 (hereafter referred to as (668)O3 and (686)O3 respectively) have been derived from space-based solar occultation spectra recorded at 0.01 cm(exp-1) resolution by the ATMOS (Atmospheric Trace MOlecule Spectroscopy) Fourier transform infrared (FTIR) spectrometer. The observations, made during the Spacelab 3 and ATLAS-1, -2, and -3 shuttle missions, cover polar, mid-latitude and tropical regions between 26 to 2.6 mb inclusive (approximately 25 to 41 km). Average enrichments, weighted by molecular (48)O3 density, of (15 +/- 6)% were found for (668)O3 and (10 +/- 7)% for (686)O3. Defining the mixing ratio of (50)O3 as the sum of those for (668)O3 and (686)O3, an enrichment of (13 plus or minus 5)% was found for (50)O3 (1 sigma standard deviation). No latitudinal or vertical gradients were found outside this standard deviation. From a series of ground-based measurements by the ATMOS instrument at Table Mountain, California (34.4 deg N), an average total column (668)O3 enrichment of (17 +/- 4)% (1 sigma standard deviation) was determined, with no significant seasonal variation discernable. Possible biases in the spectral intensities that affect the determination of absolute enrichments are discussed.

Infrared near-field spectroscopy of trace explosives using an external cavity quantum cascade laser.

PubMed

Craig, Ian M; Taubman, Matthew S; Lea, A Scott; Phillips, Mark C; Josberger, Erik E; Raschke, Markus B

2013-12-16

Utilizing a broadly-tunable external cavity quantum cascade laser for scattering-type scanning near-field optical microscopy (s-SNOM), we measure infrared spectra of particles of explosives by probing characteristic nitro-group resonances in the 7.1-7.9 µm wavelength range. Measurements are presented with spectral resolution of 0.25 cm(-1), spatial resolution of 25 nm, sensitivity better than 100 attomoles, and at a rapid acquisition time of 90 s per spectrum. We demonstrate high reproducibility of the acquired s-SNOM spectra with very high signal-to-noise ratios and relative noise of <0.02 in self-homodyne detection.

THE FAR-INFRARED ROTATIONAL SPECTRUM OF ETHYLENE OXIDE

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

Medcraft, Chris; Thompson, Christopher D.; McNaughton, Don

2012-07-01

High-resolution FTIR spectra of ethylene oxide have been measured in the far-infrared region using synchrotron radiation. A total of 1182 lines between 15 and 73 cm{sup -1} were assigned, with J{sub max} = 64, expanding upon previous studies that had recorded spectra up to 12 cm{sup -1}, J{sub max} = 49. All available data were co-fitted to provide greatly imp- roved rotational constants for the ground vibrational state that are capable of predicting transitions up to 73 cm{sup -1}.

Infrared reflectance spectra: Effects of particle size, provenance and preparation

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

Su, Yin-Fong; Myers, Tanya L.; Brauer, Carolyn S.

2014-09-22

We have recently developed methods for making more accurate infrared total and diffuse directional - hemispherical reflectance measurements using an integrating sphere. We have found that reflectance spectra of solids, especially powders, are influenced by a number of factors including the sample preparation method, the particle size and morphology, as well as the sample origin. On a quantitative basis we have investigated some of these parameters and the effects they have on reflectance spectra, particularly in the longwave infrared. In the IR the spectral features may be observed as either maxima or minima: In general, upward-going peaks in the reflectancemore » spectrum result from strong surface scattering, i.e. rays that are reflected from the surface without bulk penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. The light signals reflected from solids usually encompass all such effects, but with strong dependencies on particle size and preparation. This paper measures the reflectance spectra in the 1.3 – 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to observe the effects on the spectral features: Bulk materials were ground with a mortar and pestle and sieved to separate the samples into various size fractions between 5 and 500 microns. The median particle size is demonstrated to have large effects on the reflectance spectra. For certain minerals we also observe significant spectral change depending on the geologic origin of the sample. All three such effects (particle size, preparation and provenance) result in substantial change in the reflectance spectra for solid materials; successful identification algorithms will require sufficient flexibility to account for these parameters.« less

Infrared reflectance spectra: effects of particle size, provenance and preparation

NASA Astrophysics Data System (ADS)

Su, Yin-Fong; Myers, Tanya L.; Brauer, Carolyn S.; Blake, Thomas A.; Forland, Brenda M.; Szecsody, J. E.; Johnson, Timothy J.

2014-10-01

We have recently developed methods for making more accurate infrared total and diffuse directional - hemispherical reflectance measurements using an integrating sphere. We have found that reflectance spectra of solids, especially powders, are influenced by a number of factors including the sample preparation method, the particle size and morphology, as well as the sample origin. On a quantitative basis we have investigated some of these parameters and the effects they have on reflectance spectra, particularly in the longwave infrared. In the IR the spectral features may be observed as either maxima or minima: In general, upward-going peaks in the reflectance spectrum result from strong surface scattering, i.e. rays that are reflected from the surface without bulk penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. The light signals reflected from solids usually encompass all such effects, but with strong dependencies on particle size and preparation. This paper measures the reflectance spectra in the 1.3 - 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to observe the effects on the spectral features: Bulk materials were ground with a mortar and pestle and sieved to separate the samples into various size fractions between 5 and 500 microns. The median particle size is demonstrated to have large effects on the reflectance spectra. For certain minerals we also observe significant spectral change depending on the geologic origin of the sample. All three such effects (particle size, preparation and provenance) result in substantial change in the reflectance spectra for solid materials; successful identification algorithms will require sufficient flexibility to account for these parameters.

An original data treatment for infrared spectra of organic matter, application to extracted soil organic matter

NASA Astrophysics Data System (ADS)

Gomes Rossin, Bruna; Redon, Roland; Raynaud, Michel; Nascimento, Nadia Regina; Mounier, Stéphane

2017-04-01

amazonien. [PHD] .Universidade Estadual Paulista "Júlio de Mesquita Filho";2009. Monakhova, Yulia B., Alexey M. Tsikin, Svetlana P. Mushtakova, and Mauro Mecozzi. 2015. "Independent Component Analysis and Multivariate Curve Resolution to Improve Spectral Interpretation of Complex Spectroscopic Data Sets: Application to Infrared Spectra of Marine Organic Matter Aggregates." Microchemical Journal, Devoted to the Application of Microtechniques in All Branches of Science 118 (January): 211-22. Tadini, Amanda Maria, Gustavo Nicolodelli, Stephane Mounier, Célia Regina Montes, and Débora Marcondes Bastos Pereira Milori. 2015. "The Importance of Humin in Soil Characterisation: A Study on Amazonian Soils Using Different Fluorescence Techniques." The Science of the Total Environment 537 (December): 152-58.

Radiometric and spectral validation of Atmospheric Infrared Sounder observations with the aircraft-based Scanning High-Resolution Interferometer Sounder

NASA Astrophysics Data System (ADS)

Tobin, David C.; Revercomb, Henry E.; Knuteson, Robert O.; Best, Fred A.; Smith, William L.; Ciganovich, Nick N.; Dedecker, Ralph G.; Dutcher, Steven; Ellington, Scott D.; Garcia, Raymond K.; Howell, H. Benjamin; Laporte, Daniel D.; Mango, Stephen A.; Pagano, Thomas S.; Taylor, Joe K.; van Delst, Paul; Vinson, Kenneth H.; Werner, Mark W.

2006-05-01

The ability to accurately validate high-spectral resolution infrared radiance measurements from space using comparisons with a high-altitude aircraft spectrometer has been successfully demonstrated. The demonstration is based on a 21 November 2002 underflight of the AIRS on the NASA Aqua spacecraft by the Scanning-HIS on the NASA ER-2 high-altitude aircraft. A comparison technique which accounts for the different viewing geometries and spectral characteristics of the two sensors is introduced, and accurate comparisons are made for AIRS channels throughout the infrared spectrum. Resulting brightness temperature differences are found to be 0.2 K or less for most channels. Both the AIRS and the Scanning-HIS calibrations are expected to be very accurate (formal 3-sigma estimates are better than 1 K absolute brightness temperature for a wide range of scene temperatures), because high spectral resolution offers inherent advantages for absolute calibration and because they make use of high-emissivity cavity blackbodies as onboard radiometric references. AIRS also has the added advantage of a cold space view, and the Scanning-HIS calibration has recently benefited from the availability of a zenith view from high-altitude flights. Aircraft comparisons of this type provide a mechanism for periodically testing the absolute calibration of spacecraft instruments with instrumentation for which the calibration can be carefully maintained on the ground. This capability is especially valuable for assuring the long-term consistency and accuracy of climate observations, including those from the NASA EOS spacecraft (Terra, Aqua and Aura) and the new complement of NPOESS operational instruments. The validation role for accurately calibrated aircraft spectrometers also includes application to broadband instruments and linking the calibrations of similar instruments on different spacecraft. It is expected that aircraft flights of the Scanning-HIS and its close cousin the NPOESS Airborne

Probing Conditions at Ionized/Molecular Gas Interfaces With High Resolution Near-Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Kaplan, Kyle Franklin

2017-08-01

Regions of star formation and star death in our Galaxy trace the cycle of gas and dust in the interstellar medium (ISM). Gas in dense molecular clouds collapses to form stars, and stars at the end of their lives return the gas that made up their outer layers back out into the Galaxy. Hot stars generate copious amounts of ultraviolet photons which interact with the surrounding medium and dominate the energetics, ionization state, and chemistry of the gas. The interface where molecular gas is being dissociated into neutral atomic gas by far-UV photons from a nearby hot source is called a photodissociation or photon-dominated region (PDR). PDRs are found primarily in star forming regions where O and B stars serve as the source of UV photons, and in planetary nebulae where the hot core of the dying star acts as the UV source. The main target of this dissertation is molecular hydrogen (H2), the most abundant molecule in the Universe, made from hydrogen formed during the Big Bang. H2 makes up the overwhelming majority of molecules found in the ISM and in PDRs. Far-UV radiation absorbed by H2 will excite an electron in the molecule. The molecule then either dissociates ( 10% of the time; Field et al. 1966) or decays into excited rotational and vibrational ("rovibrational") levels of the electronic ground state. These excited rovibrational levels then decay via a radiative cascade to the ground rovibrational state (v = 0, J = 0), giving rise to a large number of transitions observable in emission from the mid-IR to the optical (Black & van Dishoeck, 1987). These transitions provide an excellent probe of the excitation and conditions within the gas. These transitions are also observed in warm H2, such as in shocks, where collisions excite H2 to higher rovibrational levels. High resolution near-infrared spectroscopy, with its ability to see through dust, and avoid telluric absorption and emission, serves as an effective tool to detect emission from ions, atoms, and molecules

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.

Infrared emission spectra from operating elastohydrodynamic sliding contacts

NASA Technical Reports Server (NTRS)

Lauer, J. L.

1976-01-01

Infrared emission spectra from an operating EHD sliding contact were obtained through a diamond window for an aromatic polymer solute present in equal concentration in four different fluids. Three different temperature ranges, three different loads, and three different speeds for every load were examined. Very sensitive Fourier spectrophotometric (Interferometric) techniques were employed. Band Intensities and band intensity ratios found to depend both on the operating parameters and on the fluid. Fluid film and metal surface temperatures were calculated from the spectra and their dependence on the mechanical parameters plotted. The difference between these temperatures could be plotted against shear rate on one curve for all fluids. However, at the same shear rate the difference between bulk fluid temperature and diamond window temperature was much higher for one of the fluids, a traction fluid, than for the others.

High resolution scanning of radial strips cut from increment cores by near infrared spectroscopy

Treesearch

P. David Jones; Laurence R. Schimleck; Chi-Leung So; Alexander III Clark; Richard F. Daniels

2007-01-01

Near infrared (NIR) spectroscopy provides a rapid method for the determination of wood properties of radial strips. The spatial resolution of the NIR measurements has generally been limited to sections 10 mm wide and as a consequence the estimation of wood properties of individual rings or within rings has not been possible. Many different NIR instruments can be used...

Parallelization and Algorithmic Enhancements of High Resolution IRAS Image Construction

NASA Technical Reports Server (NTRS)

Cao, Yu; Prince, Thomas A.; Tereby, Susan; Beichman, Charles A.

1996-01-01

The Infrared Astronomical Satellite caried out a nearly complete survey of the infrared sky, and the survey data are important for the study of many astrophysical phenomena. However, many data sets at other wavelengths have higher resolutions than that of the co-added IRAS maps, and high resolution IRAS images are strongly desired both for their own information content and their usefulness in correlation. The HIRES program was developed by the Infrared Processing and Analysis Center (IPAC) to produce high resolution (approx. 1') images from IRAS data using the Maximum Correlation Method (MCM). We describe the port of HIRES to the Intel Paragon, a massively parallel supercomputer, other software developments for mass production of HIRES images, and the IRAS Galaxy Atlas, a project to map the Galactic plane at 60 and 100(micro)m.

Mid-Infrared Properties of OH Megamaser Host Galaxies. I. Spitzer IRS Low- and High-Resolution Spectroscopy

NASA Astrophysics Data System (ADS)

Willett, Kyle W.; Darling, Jeremy; Spoon, Henrik W. W.; Charmandaris, Vassilis; Armus, Lee

2011-03-01

We present mid-infrared spectra and photometry from the Infrared Spectrograph on the Spitzer Space Telescope for 51 OH megamasers (OHMs), along with 15 galaxies confirmed to have no megamaser emission above L OH = 102.3 L sun. The majority of galaxies display moderate-to-deep 9.7 μm amorphous silicate absorption, with OHM galaxies showing stronger average absorption and steeper 20-30 μm continuum emission than non-masing galaxies. Emission from multiple polycyclic aromatic hydrocarbons (PAHs), especially at 6.2, 7.7, and 11.3 μm, is detected in almost all systems. Fine-structure atomic emission (including [Ne II], [Ne III], [S III], and [S IV]) and multiple H2 rotational transitions are observed in more than 90% of the sample. A subset of galaxies show emission from rarer atomic lines, such as [Ne V], [O IV], and [Fe II]. Fifty percent of the OHMs show absorption from water ice and hydrogenated amorphous carbon grains, while absorption features from CO2, HCN, C2H2, and crystalline silicates are also seen in several OHMs. Column densities of OH derived from 34.6 μm OH absorption are similar to those derived from 1667 MHz OH absorption in non-masing galaxies, indicating that the abundance of masing molecules is similar for both samples. This data paper presents full mid-infrared spectra for each galaxy, along with measurements of line fluxes and equivalent widths, absorption feature depths, and spectral indices.

Compositional Analyses and Implications of Visible/Near-Infrared Spectra of Outer Irregular Jovian Satellites

NASA Astrophysics Data System (ADS)

Vilas, Faith; Hendrix, Amanda

2017-10-01

The existence of a visible-near infrared absorption feature attributed to aqueous alteration products has been suggested in both grey and reddened broadband photometry of some outer irregular jovian satellites. Moderate resolution VNIR narrowband spectroscopy was obtained of the jovian irregular satellites JVI Himalia, JVII Elara, JVIII Pasiphae, JIX Sinope, JX Lysithea, JXI Carme, JXII Ananke and JXVII Callirrhoe in 2006, 2008, 2009, and 2010 using the MMT Observatory facility Red Channel spectrograph to confirm the presence of this feature. The spectra are centered near 0.64 μm in order to cover the 0.7-μm feature entirely (generally ranging from 0.57 to 0.83 μm). The spectra generally have a dispersion/element of ~0.6 nm (6Å) some spectra are smoothed. These spectra sample three prograde (i = 28o), four retrograde (i = 149o, 165o) and one independent satellite.We observe these findings among the spectra:- An absorption feature centered near 0.7 µm exists in the spectra of the three prograde (i = 28o) satellites. This feature is spectrally broader than the 0.7-µm feature observed in C-complex asteroids. None appears spectrally reddened. This suggests that these prograde satellites have a common parent body.- A different absorption feature appears in the spectra of the three retrograde (i = 149o) satellites, also suggesting a common parent body. Varying reddening is observed. This feature is similar in spectral location and width to the 0.7-µm feature.- Reddening is observed in the individual observation of JXI Carme (i = 165o), and independent satellite JIX Sinope, similar to the D-class asteroid spectra dominating the Trojan population. A suggested absorption feature is being investigated.Mixing modeling of combinations of both expected and proposed compositions including carbonaceous materials, phyllosilicates, mafic silicates, and other opaque materials, is currently underway. Results will be reported and discussed at the meeting.Acknowledgments: The

PHOENIX IR Spectra of CO in the Sun and the Stars

NASA Astrophysics Data System (ADS)

Ayres, T. R.; Valenti, J. A.; Hinkle, K. H.; Johns-Krull, C. M.; Wiedemann, G. R.

1998-05-01

We report high-resolution (R ~ 5*E(4) ) spectra of the 2143 cm(-1) (4.7 mu m) interval---containing lines from the fundamental (Delta v =1) bands of carbon monoxide---in the Sun and other late-type stars, obtained with the PHOENIX cryogenic infrared spectrometer. The solar work was conducted at the McMath-Pierce telescope during the period 21--26 April 1997, while the stellar observations were obtained on the night of 6 December 1997 at the Kitt Peak 2.1-m. Comparisons of spatially-averaged spectra from the long-slit observations of the Sun with very high-resolution Fourier transform spectrometer scans permitted an evalution of the PHOENIX instrumental profile (affected by flexing of the grating owing to unequal thermal coefficients of the epoxy replica and the silicon substrate). The profile information subsequently was applied in comparisons of the stellar data sets with CO spectra synthesized using a variety of prototype thermal structure models. On the stellar side, we concentrated on bright K-type giants whose broad CO profiles are fully resolved at PHOENIX resolution. Our intent was to test the degree of thermal heterogeneity in the outer layers of the red giant atmospheres; analogous to the ``thermal bifurcation'' effects deduced in the solar context (namely, the dichotomy between classical hot chromosphere and the controversial cool ``COmosphere''). Our spectral analyses provide a preview of the power of PHOENIX for high-resolution infrared spectroscopy of stars; to be realized in the coming months when the original grating is replaced with an improved version. [-2mm] The observations were obtained at the National Optical Astronomy Observatories, which is operated by AURA, Inc., under a cooperative agreement with the National Science Foundation. This work was supported by NSF grant AST-9618505.

Infrared spectra of complex organic molecules in astronomically relevant ice matrices. I. Acetaldehyde, ethanol, and dimethyl ether

NASA Astrophysics Data System (ADS)

Terwisscha van Scheltinga, J.; Ligterink, N. F. W.; Boogert, A. C. A.; van Dishoeck, E. F.; Linnartz, H.

2018-03-01

Context. The number of identified complex organic molecules (COMs) in inter- and circumstellar gas-phase environments is steadily increasing. Recent laboratory studies show that many such species form on icy dust grains. At present only smaller molecular species have been directly identified in space in the solid state. Accurate spectroscopic laboratory data of frozen COMs, embedded in ice matrices containing ingredients related to their formation scheme, are still largely lacking. Aim. This work provides infrared reference spectra of acetaldehyde (CH3CHO), ethanol (CH3CH2OH), and dimethyl ether (CH3OCH3) recorded in a variety of ice environments and for astronomically relevant temperatures, as needed to guide or interpret astronomical observations, specifically for upcoming James Webb Space Telescope observations. Methods: Fourier transform transmission spectroscopy (500-4000 cm-1/20-2.5 μm, 1.0 cm-1 resolution) was used to investigate solid acetaldehyde, ethanol and dimethyl ether, pure or mixed with water, CO, methanol, or CO:methanol. These species were deposited on a cryogenically cooled infrared transmissive window at 15 K. A heating ramp was applied, during which IR spectra were recorded until all ice constituents were thermally desorbed. Results: We present a large number of reference spectra that can be compared with astronomical data. Accurate band positions and band widths are provided for the studied ice mixtures and temperatures. Special efforts have been put into those bands of each molecule that are best suited for identification. For acetaldehyde the 7.427 and 5.803 μm bands are recommended, for ethanol the 11.36 and 7.240 μm bands are good candidates, and for dimethyl ether bands at 9.141 and 8.011 μm can be used. All spectra are publicly available in the Leiden Database for Ice.

Reference-free, high-resolution measurement method of timing jitter spectra of optical frequency combs

PubMed Central

Kwon, Dohyeon; Jeon, Chan-Gi; Shin, Junho; Heo, Myoung-Sun; Park, Sang Eon; Song, Youjian; Kim, Jungwon

2017-01-01

Timing jitter is one of the most important properties of femtosecond mode-locked lasers and optical frequency combs. Accurate measurement of timing jitter power spectral density (PSD) is a critical prerequisite for optimizing overall noise performance and further advancing comb applications both in the time and frequency domains. Commonly used jitter measurement methods require a reference mode-locked laser with timing jitter similar to or lower than that of the laser-under-test, which is a demanding requirement for many laser laboratories, and/or have limited measurement resolution. Here we show a high-resolution and reference-source-free measurement method of timing jitter spectra of optical frequency combs using an optical fibre delay line and optical carrier interference. The demonstrated method works well for both mode-locked oscillators and supercontinua, with 2 × 10−9 fs2/Hz (equivalent to −174 dBc/Hz at 10-GHz carrier frequency) measurement noise floor. The demonstrated method can serve as a simple and powerful characterization tool for timing jitter PSDs of various comb sources including mode-locked oscillators, supercontinua and recently emerging Kerr-frequency combs; the jitter measurement results enabled by our method will provide new insights for understanding and optimizing timing noise in such comb sources. PMID:28102352

High resolution infrared spectra of Bulge Globular Clusters: Liller 1, NGC 6553, and Ter 5

NASA Astrophysics Data System (ADS)

Origlia, L.; Rich, R. M.; Castro, S. M.

2001-12-01

Using the NIRSPEC spectrograph at Keck II, we have obtained echelle spectra covering the range 1.5-1.8μ m for 2 of the brightest giants in Liller 1 and NGC 6553, old metal rich globular clusters in the Galactic bulge. We also report a preliminary analysis for two giants in the obscured bulge globular cluster Ter 5. We use spectrum synthesis for the abundance analysis, and find [Fe/H]=-0.3+/-0.2 and [O/H]=+0.3+/- 0.1 (from the OH lines) for the giants in Liller 1 and NGC 6553. We measure strong lines for the alpha elements Mg, Ca, and Si, but the lower sensitivity of these lines to abundance permits us to only state a general [α /Fe]=+0.3+/-0.2 dex. The composition of the clusters is similar to that of field stars in the bulge and is consistent with a scenario in which the clusters formed early, with rapid enrichment. Our iron abundance for NGC 6553 is poorly consistent with either the low or the high values recently reported in the literature, unless unusally large, or no α -element enhancements are adopted, respectively. We will also present an abundance analsyis for 2 giants in the highly reddened bulge cluster Ter 5, which appears to be near the Solar metallicity. R. Michael Rich acknowledges finacial support from grant AST-0098739, from the National Science Foundation. Data presented herein were obtained at the W.M.Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W.M. Keck Foundation. The authors gratefully acknowledge those of Hawaiian ancestry on whose sacred mountain we are privileged to be guests. Without their generous hospitality, none of the observations presented would have been possible.

The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra

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

Vasilatou, K.; Michaud, J. M.; Baykusheva, D.

2014-08-14

The cyclopropene radical cation (c-C{sub 3}H{sub 4}{sup +}) is an important but poorly characterized three-membered-ring hydrocarbon. We report on a measurement of the high-resolution photoelectron and photoionization spectra of cyclopropene and several deuterated isotopomers, from which we have determined the rovibrational energy level structure of the X{sup ~+} {sup 2}B{sub 2} ground electronic state of c-C{sub 3}H{sub 4}{sup +} at low energies for the first time. The synthesis of the partially deuterated isotopomers always resulted in mixtures of several isotopomers, differing in their number of D atoms and in the location of these atoms, so that the photoelectron spectra ofmore » deuterated samples are superpositions of the spectra of several isotopomers. The rotationally resolved spectra indicate a C{sub 2v}-symmetric R{sub 0} structure for the ground electronic state of c-C{sub 3}H{sub 4}{sup +}. Two vibrational modes of c-C{sub 3}H{sub 4}{sup +} are found to have vibrational wave numbers below 300 cm{sup −1}, which is surprising for such a small cyclic hydrocarbon. The analysis of the isotopic shifts of the vibrational levels enabled the assignment of the lowest-frequency mode (fundamental wave number of ≈110 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to the CH{sub 2} torsional mode (ν{sub 8}{sup +}, A{sub 2} symmetry) and of the second-lowest-frequency mode (≈210 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to a mode combining a CH out-of-plane with a CH{sub 2} rocking motion (ν{sub 15}{sup +}, B{sub 2} symmetry). The potential energy along the CH{sub 2} torsional coordinate is flat near the equilibrium structure and leads to a pronounced anharmonicity.« less

High Resolution Far Infrared Fourier Transform Spectroscopy of the NH_2 Radical.

NASA Astrophysics Data System (ADS)

Martin-Drumel, M. A.; Pirali, O.; Balcon, D.; Vervloet, M.

2011-06-01

First identified toward Sgr B2, the NH_2 radical has recently been detected in the interstellar medium by the HIFI instrument on board of Herschel. Despite the fact that this radical has not been detected in brown dwarfs and exoplanets yet, it is already included in physical and chemical models of those environments (temperature higher than 2000 K expected in several objects). Its detection in those objects will depend on the existence of a reliable high temperature and high resolution spectroscopic database on the NH_2 radical.The absorption spectrum of NH_2 has been recorded between 15 and 700 Cm-1 at the highest resolution available using the Bruker IFS125HR Fourier transform interferometer connected to the far infrared AILES beamline at SOLEIL (R=0.001 Cm-1). The radical was produced by an electrical discharge (DC) through a continuous flow of NH_3 and He using the White-type discharge cell developped on the beamline (optical path: 24m). Thanks to the brilliance of the synchrotron radiation, more than 700 pure rotational transitions of NH_2 have been identified with high N values (NMax=25) in its fundamental and first excited vibrational modes. By comparison to the previous FT spectroscopic study on that radical in the FIR spectral range, asymmetric splitting as well as fine and hyperfine structure have been resolved for several transitions. E. F. Van Dishoeck, D. J. Jansen, P. Schilke, T. G. Phillips The Astrophysical Journal 416, L83-L86 (1993) C. M. Persson, J. H. Black, J. Cernicharo et al. Astronomy and Astrophysics 521, L45 (2010) K. Lodders and B. Fegley, Jr Icarus 155, 393-424 (2002) I. Morino and K. Kawaguchi Journal of Molecular Spectroscopy 182, 428-438 (1997)

[Investigation of typical melamine urinary stones using infrared spectra].

PubMed

Si, Min-Zhen; Li, Qing-Yun; Liu, Ren-Ming; Kang, Yi-Pu; Wang, Kun-Hua; Zhang, Zhi-Guo

2010-02-01

A typical melamine kidney stone confirmed by some medicine expert was collected from the first people's hospital of Yunnan. The kidney stone was adequately determined by PE corporation spectra 100(with resolution of 1 cm(-1)). The stone samples for FTIR analysis were prepared using the KBr pellet technique, where 2 mg of the pretreated stone powder was mixed with 200 mg of analytical grade KBr using an agate pestle and mortar. The digital spectrum was then scanned in the mid-infrared region from 4 000 to 400 cm(-1) at room temperature. The appearing bands between 4 000 and 2 000 cm(-1) were 3 487, 3 325, 3 162 and 2 788 cm(-1), those between 1 700 and 1 000 cm(-1) were 1 694, 1 555, 1 383, 1 340, 1 189 and 1 122 cm(-1), and those between 1 000 and 400 cm(-1) were 993, 782, 748, 709, 624, 585, 565 and 476 cm(-1). It was found that the main constituent of calculi showed few comparability with cat kidney stone, which was from cats that died after consuming the contaminated food, and confirmed that these deposits were primarily composed of melamine and cyanuric acid compared to the IR spectra of calculi in literature. It was also found that the main constituent of calculi showed few comparability with popular kidney stone by comparison with the IR spectra of calculi in literature. The spectrum of calculi was 50% respectively similar with melamine and uric acid as compared with the IR spectrum. It was found that the main constituent of calculi was melamine itself and uric acid as compared with the IR spectra of calculi and melamine: (1 : 1), because the spectrum of calculi was 83. 3% similar to melamine and uric acid (1 : 1). The appearing bands of melamine and uric acid (1 : 1) between 4 000 and 2 000 cm(-1) were 3 469, 3 419, 3 333, 3 132, 3 026, 2 827 cm(-1), those between 1 700 and 1 000 cm(-1) were 1 696, 1 656, 1 555, 1 489, 1 439, 1 350, 1 311, 1 198, 1 124 and 1 028 cm(-1), and those between 1 000 and 400 cm(-1) were 993, 878, 814, 784, 745, 708, 619, 577 and

Chlorophyll Fluorescence Emissions of Vegetation Canopies From High Resolution Field Reflectance Spectra

NASA Technical Reports Server (NTRS)

Middleton, E. M.; Corp, L. A.; Daughtry, C. S. T.; Campbell, P. K. Entcheva

2006-01-01

A two-year experiment was performed on corn (Zea mays L.) crops under nitrogen (N) fertilization regimes to examine the use of hyperspectral canopy reflectance information for estimating chlorophyll fluorescence (ChlF) and vegetation production. Fluorescence of foliage in the laboratory has proven more rigorous than reflectance for correlation to plant physiology. Especially useful are emissions produced from two stable red and far-red chlorophyll ChlF peaks centered at 685V10 nm and 735V5 nm. Methods have been developed elsewhere to extract steady state solar induced fluorescence (SF) from apparent reflectance of vegetation canopies/landscapes using the Fraunhofer Line Depth (FLD) principal. Our study utilized these methods in conjunction with field-acquired high spectral resolution canopy reflectance spectra obtained in 2004 and 2005 over corn crops, as part of an ongoing multi-year experiment at the USDA/Agriculture Research Service in Beltsville, MD. A spectroradiometer (ASD-FR Fieldspec Pro, Analytical Spectral Devices, Inc., Boulder, CO) was used to measure canopy radiances 1 m above plant canopies with a 22deg field of view and a 0deg nadir view zenith angle. Canopy and plant measurements were made at the R3 grain fill reproductive stage on 3-4 replicate N application plots provided seasonal inputs of 280, 140, 70, and 28 kg N/ha. Leaf level measurements were also made which included ChlF, photosynthesis, and leaf constituents (photosynthetic pigment, carbon (C), and N contents). Crop yields were determined at harvest. SIF intensities for ChlF were derived directly from canopy reflectance spectra in specific narrowband regions associated with atmospheric oxygen absorption features centered at 688 and 760 nm. The red/far-red S F ratio derived from these field reflectance spectra successfully discriminated foliar pigment levels (e.g., total chlorophyll, Chl) associated with N application rates in both corn crops. This canopy-level spectral ratio was also

High resolution synchrotron radiation Fourier transform infrared spectrum of the COH-bending mode in methanol-D1 (CH2DOH)

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Indra; Billinghurst, B. E.

2017-09-01

In this work the high resolution synchrotron radiation Fourier transform spectrum in the range 1180-1300 cm-1 corresponding to the COH-bending vibrational mode has been recorded and analyzed. The spectrum shows a structure analogous to a parallel band. Since the COH bending motion is one of the main contributors to the asymmetry in the torsional hindering potential barrier, the torsional barrier height in the excited state is expected to be quite different from that of the ground state. This makes the spectrum to spread over a wide region. Although the spectrum corresponding to the P- and R-branch looks very complicated, the Q-branches are well resolved and can be identified without much difficulty. It was possible to assign the spectra for K = 0 to 10 for the trans- (e0) species. The interesting feature of the spectra is the absence of the lines for two other lower lying gauche symmetry species e1 and o1. The spectra due to any perpendicular transitions were absent as well. However some weak c-type transitions from gauche states (o1 and e1) in the ground state to the trans-species (e0) in the COD bending mode for low K-values ΔK = 0 have been seen to be present in the spectra. These along with similar transitions for the OCD vibrational band are under investigation and the results will be communicated elsewhere. In the present work, analysis of the spectrum has been carried out to obtain precise term values and molecular parameters in the excited COH-bending state for the trans-species. The results will be shown valuable to assign similar spectra for the methanol-D2. This work represents the first reported high resolution study of this illusive vibrational mode in methanol-D1.

New and improved infrared absorption cross sections for chlorodifluoromethane (HCFC-22)

NASA Astrophysics Data System (ADS)

Harrison, Jeremy J.

2016-06-01

The most widely used hydrochlorofluorocarbon (HCFC) commercially since the 1930s has been chloro-difluoromethane, or HCFC-22, which has the undesirable effect of depleting stratospheric ozone. As this molecule is currently being phased out under the Montreal Protocol, monitoring its concentration profiles using infrared sounders crucially requires accurate laboratory spectroscopic data. This work describes new high-resolution infrared absorption cross sections of chlorodifluoromethane over the spectral range 730-1380 cm-1, determined from spectra recorded using a high-resolution Fourier transform spectrometer (Bruker IFS 125HR) and a 26 cm pathlength cell. Spectra of chlorodifluoromethane/dry synthetic air mixtures were recorded at resolutions between 0.01 and 0.03 cm-1 (calculated as 0.9/MOPD; MOPD denotes the maximum optical path difference) over a range of temperatures and pressures (7.5-762 Torr and 191-295 K) appropriate for atmospheric conditions. This new cross-section dataset improves upon the one currently available in the HITRAN (HIgh-resolution TRANsmission) and GEISA (Gestion et Etude des Informations Spectroscopiques Atmosphériques) databases; in particular it provides coverage over a wider range of pressures and temperatures, has more accurate wavenumber scales, more consistent integrated band intensities, improved signal-to-noise, is free of channel fringing, and additionally covers the ν2 and ν7 bands.

Adaptive optics high-resolution IR spectroscopy with silicon grisms and immersion gratings

NASA Astrophysics Data System (ADS)

Ge, Jian; McDavitt, Daniel L.; Chakraborty, Abhijit; Bernecker, John L.; Miller, Shane

2003-02-01

The breakthrough of silicon immersion grating technology at Penn State has the ability to revolutionize high-resolution infrared spectroscopy when it is coupled with adaptive optics at large ground-based telescopes. Fabrication of high quality silicon grism and immersion gratings up to 2 inches in dimension, less than 1% integrated scattered light, and diffraction-limited performance becomes a routine process thanks to newly developed techniques. Silicon immersion gratings with etched dimensions of ~ 4 inches are being developed at Penn State. These immersion gratings will be able to provide a diffraction-limited spectral resolution of R = 300,000 at 2.2 micron, or 130,000 at 4.6 micron. Prototype silicon grisms have been successfully used in initial scientific observations at the Lick 3m telescope with adaptive optics. Complete K band spectra of a total of 6 T Tauri and Ae/Be stars and their close companions at a spectral resolution of R ~ 3000 were obtained. This resolving power was achieved by using a silicon echelle grism with a 5 mm pupil diameter in an IR camera. These results represent the first scientific observations conducted by the high-resolution silicon grisms, and demonstrate the extremely high dispersing power of silicon-based gratings. New discoveries from this high spatial and spectral resolution IR spectroscopy will be reported. The future of silicon-based grating applications in ground-based AO IR instruments is promising. Silicon immersion gratings will make very high-resolution spectroscopy (R > 100,000) feasible with compact instruments for implementation on large telescopes. Silicon grisms will offer an efficient way to implement low-cost medium to high resolution IR spectroscopy (R ~ 1000-50000) through the conversion of existing cameras into spectrometers by locating a grism in the instrument's pupil location.

Measurements of constituents of interest in the photochemistry of the ozone layer using infrared techniques

NASA Technical Reports Server (NTRS)

Murcray, D. G.; Williams, J. W.; Barker, D. B.; Goldman, A.; Bradford, C.; Cook, G.

1978-01-01

Infrared solar spectra and infrared atmospheric emission spectra were obtained from the ground, from aircraft and from balloons. The initial detection of most stratospheric molecules was achieved by the solar spectral technique because better resolution helps remove interference from other molecules. Because the sun is an intense source of radiation, the resolution which can be obtained with good signal-to-noise, is greater than with atmospheric emission spectroscopy. Data are generally taken using a method that enhances the number of molecules in the optical path i.e. at large solar zenith angles for solar spectra and at low elevation angles for atmospheric emission spectra. The search for molecules which are predicted to be present but which, the detection of a molecule known to be present from other measurement techniques but observed for the first time in infrared solar spectra, and some further data on the variability of HNO3 are discussed.

Weak metal lines in optical high-resolution Very Large Telescope and Keck spectra of "cool" PG 1159 stars

NASA Astrophysics Data System (ADS)

Werner, K.; Rauch, T.

2014-09-01

PG 1159 stars are very hot (effective temperatures Teff = 75 000-200 000 K), hydrogen-deficient (pre-) white dwarfs. They probably are the result of a late helium-shell flash that laid bare the He, C, and O rich intershell matter of the progenitor Asymptotic Giant Branch (AGB) star. Their chemical surface composition thus allows to conclude on details of AGB-star nucleosynthesis. Due to their very high effective temperatures, detailed spectral analyses are usually completely reliant on ultraviolet observations, except for some species in the hottest PG 1159 stars (Teff ≳ 130 000 K), which do exhibit highly excited lines from the CNO elements and neon (C iv, N v, O vi, Ne vii-viii) in optical spectra. Particularly problematic are, however, the coolest members of the PG 1159 class that exclusively show C iv lines in the optical. Access to the nitrogen abundance is important to decide which of the late-thermal pulse evolutionary scenarios was experienced by a particular star, while a high oxygen abundance is an important marker that the star could pulsate. In the present paper, we investigate high-resolution high signal-to-noise optical spectra of three "cool" PG 1159 stars (PG 0122+200, PG 2131+066, MCT 0130-1937, Teff = 80 000-95 000 K). With the help of non-LTE model atmospheres and synthetic spectra, we are able to identify a large number of weak CNO lines (C iii, N iv, O iii-v) that were not detected before in these stars. They allow abundance determinations and enable us to constrain the effective temperature to high precision through ionization equilibria without the requirement to access the ultraviolet spectral range.

A non-LTE model for the Jovian methane infrared emissions at high spectral resolution

NASA Technical Reports Server (NTRS)

Halthore, Rangasayi N.; Allen, J. E., Jr.; Decola, Philip L.

1994-01-01

High resolution spectra of Jupiter in the 3.3 micrometer region have so far failed to reveal either the continuum or the line emissions that can be unambiguously attributed to the nu(sub 3) band of methane (Drossart et al. 1993; Kim et al. 1991). Nu(sub 3) line intensities predicted with the help of two simple non-Local Thermodynamic Equilibrium (LTE) models -- a two-level model and a three-level model, using experimentally determined relaxation coefficients, are shown to be one to three orders of magnitude respectively below the 3-sigma noise level of these observations. Predicted nu(sub 4) emission intensities are consistent with observed values. If the methane mixing ratio below the homopause is assumed as 2 x 10(exp -3), a value of about 300 K is derived as an upper limit to the temperature of the high stratosphere at microbar levels.

Removing interference-based effects from the infrared transflectance spectra of thin films on metallic substrates: a fast and wave optics conform solution.

PubMed

Mayerhöfer, Thomas G; Pahlow, Susanne; Hübner, Uwe; Popp, Jürgen

2018-06-25

A hybrid formalism combining elements from Kramers-Kronig based analyses and dispersion analysis was developed, which allows removing interference-based effects in the infrared spectra of layers on highly reflecting substrates. In order to enable a highly convenient application, the correction procedure is fully automatized and usually requires less than a minute with non-optimized software on a typical office PC. The formalism was tested with both synthetic and experimental spectra of poly(methyl methacrylate) on gold. The results confirmed the usefulness of the formalism: apparent peak ratios as well as the interference fringes in the original spectra were successfully corrected. Accordingly, the introduced formalism makes it possible to use inexpensive and robust highly reflecting substrates for routine infrared spectroscopic investigations of layers or films the thickness of which is limited by the imperative that reflectance absorbance must be smaller than about 1. For thicker films the formalism is still useful, but requires estimates for the optical constants.

Visible/near-infrared spectra and two-layer modeling of palagonite-coated Basalts

USGS Publications Warehouse

Johnson, J. R.; Grundy, W.M.

2001-01-01

Fine-grained dust coatings on Martian rocks and soils obscure underlying surfaces and hinder mineralogic interpretations of both remote sensing and in-situ observations. We investigate laboratory visible/near-infrared spectra of various thicknesses of palagonite coatings on basalt substrates. We develop a two-layer Hapke scattering model incorporating porosity, grain size, and derived absorption coefficients of palagonite and basalt that reproduces the observed spectra only when the single scattering particle phase function is varied with wavelength.

High-resolution synchrotron infrared spectroscopy of acrolein: The vibrational levels between 700 and 820 cm-1

NASA Astrophysics Data System (ADS)

McKellar, A. R. W.; Billinghurst, B. E.

2015-09-01

The weak combination bands ν12 + ν18 and ν17 + ν18 of trans-acrolein in the 700-760 cm-1 region are observed at high resolution (<0.001 cm-1) using spectra obtained at the Canadian Light Source synchrotron radiation facility. A detailed rotational analysis of the 121181 and 171181 upper states is made which includes the nearby perturbing states 185, 132181, and 131183. Taking the results of this 5-state fit, together with earlier results on lower lying vibrations, we now have experimental characterization for all 15 excited vibrational states of acrolein lying below 820 cm-1.

Quantitative Infrared Absorption Spectra and Vibrational Assignments of Crotonaldehyde and Methyl Vinyl Ketone Using Gas-Phase Mid-Infrared, Far-Infrared, and Liquid Raman Spectra: s-cis vs s-trans Composition Confirmed via Temperature Studies and ab Initio Methods.

PubMed

Lindenmaier, Rodica; Williams, Stephen D; Sams, Robert L; Johnson, Timothy J

2017-02-16

Methyl vinyl ketone (MVK) and crotonaldehyde are chemical isomers; both are also important species in tropospheric chemistry. We report quantitative vapor-phase infrared spectra of crotonaldehyde and MVK vapors over the 540-6500 cm -1 range. Vibrational assignments of all fundamental modes are made for both molecules on the basis of far- and mid-infrared vapor-phase spectra, liquid Raman spectra, along with density functional theory and ab initio MP2 and high energy-accuracy compound theoretical models (W1BD). Theoretical results indicate that at room temperature the crotonaldehyde equilibrium mixture is approximately 97% s-trans and only 3% s-cis conformer. Nearly all observed bands are thus associated with the s-trans conformer, but a few appear to be uniquely associated with the s-cis conformer, notably ν 16 c at 730.90 cm -1 , which displays a substantial intensity increase with temperature (70% upon going from 5 to 50 o C). The intensity of the corresponding mode of the s-trans conformer decreases with temperature. Under the same conditions, the MVK equilibrium mixture is approximately 69% s-trans conformer and 31% s-cis. W1BD calculations indicate that for MVK this is one of those (rare) cases where there are comparable populations of both conformers, approximately doubling the number of observed bands and exacerbating the vibrational assignments. We uniquely assign the bands associated with both the MVK s-cis conformer as well as those of the s-trans, thus completing the vibrational analyses of both conformers from the same set of experimental spectra. Integrated band intensities are reported for both molecules along with global warming potential values. Using the quantitative IR data, potential bands for atmospheric monitoring are also discussed.

Quantitative Infrared Absorption Spectra and Vibrational Assignments of Crotonaldehyde and Methyl Vinyl Ketone Using Gas-Phase Mid-Infrared, Far-Infrared, and Liquid Raman Spectra: s-cis vs s-trans Composition Confirmed via Temperature Studies and ab Initio Methods

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

Lindenmaier, Rodica; Williams, Stephen D.; Sams, Robert L.

Methyl vinyl ketone (MVK) and crotonaldehyde are chemical isomers; both are also important species in tropospheric chemistry. We report quantitative vapor-phase infrared spectra of crotonaldehyde and MVK vapors over the 540-6500 cm-1 range. Vibrational assignments of all fundamental modes are made for both molecules based on far- and mid-infrared vapor-phase spectra, liquid Raman spectra, along with density functional theory and ab initio MP2 and high energy-accuracy compound theoretical models (W1BD). Theoretical results indicate that at room temperature the crotonaldehyde equilibrium mixture is approximately 97% s-trans and only 3% s-cis conformer. Nearly all observed bands are thus associated with the s-transmore » conformer, but a few appear to be uniquely associated the s-cis conformer, notably ν16c at 730.90 cm-1, which displays a substantial intensity increase with temperature (62% upon going from 5 to 50 oC). The intensity of the corresponding mode of the s-trans conformer decreases with temperature. Under the same conditions, the MVK equilibrium mixture is approximately 69% s-trans conformer and 31% s-cis. W1BD calculations indicate that for MVK this is one of those (rare) cases where there are comparable populations of both conformers, ~doubling the number of observed bands and exacerbating the vibrational assignments. We uniquely assign the bands associated with both the MVK s-cis conformer as well as those of the s-trans, thus completing the vibrational analyses of both conformers from the same set of experimental spectra. Integrated band intensities are reported for both molecules along with global warming potential values. Using the quantitative IR data, potential bands for atmospheric monitoring are also discussed.« less

Near infrared reflectance spectra: Applications to problems in asteroid-meteorite relationships

NASA Technical Reports Server (NTRS)

Mcfadden, Lucy A.; Chamberlin, Alan B.

1992-01-01

An observing program designed to search for evidence of ordinary chondrite parent bodies near the 3:1 Kirkwood Gap was carried out in 1985 and 1986. Studies by Wisdom (1985), Wetherill (1985), and subsequent work by Milani et al. (1989) indicate that the 3:1 Kirkwood gap is the most probable source region for the majority of ordinary chondrite meteorites. The diversity of the reflectance spectra among this small data set is surprising. Early work by Gaffey and McCord (1978) showed that the inner region of the main asteroid belt is dominated by high albedo objects with mafic silicate surfaces. One would expect to see mostly spectra with 1- and 2-micron absorption bands based on this earlier work. Only 5 (of 12) spectra have these expected features. The distribution of taxonomic types presented by Gradie and Tedesco (1982) is in most cases a useful simplification of the compositional structure of the asteroid belt. The range of spectral characteristics seen with higher resolution in the near-IR has not been previously reported and is not represented in the standard asteroid taxonomy. Near-IR spectra contain valuable mineralogical information which enhances knowledge of the composition and structure of asteroids.

Fast forward modeling of Titan's infrared spectra to invert VIMS/Cassini hyperspectral images

USGS Publications Warehouse

Rodriguez, S.; Le Mouélic, Stéphane; Rannou, P.; Combe, J.-P.; Corre, L.L.; Tobie, G.; Barnes, J.W.; Sotin, Christophe; Brown, R.H.; Baines, K.H.; Buratti, B.J.; Clark, R.N.; Nicholson, P.D.

2009-01-01

The surface of Titan, the largest icy moon of Saturn, is veiled by a very thick and hazy atmosphere. The Visual and Infrared Mapping Spectrometer onboard the Cassini spacecraft, in orbit around Saturn since July 2004, conduct an intensive survey of Titan with the objective to understand the complex nature of the atmosphere and surface of the mysterious moon and the way they interact. Accurate radiative transfer modeling is necessary to analyze Titan's infrared spectra, but are often very computer resources demanding. As Cassini has gathered hitherto millions of spectra of Titan and will still observe it until at least 2010, we report here on the development of a new rapid, simple and versatile radiative transfer model specially designed to invert VIMS datacubes. ?? 2009 IEEE.

Medium-resolution near-infrared spectroscopy of massive young stellar objects

NASA Astrophysics Data System (ADS)

Pomohaci, R.; Oudmaijer, R. D.; Lumsden, S. L.; Hoare, M. G.; Mendigutía, I.

2017-12-01

We present medium-resolution (R ∼ 7000) near-infrared echelle spectroscopic data for 36 massive young stellar objects (MYSOs) drawn from the Red MSX Source survey. This is the largest sample observed at this resolution at these wavelengths of MYSOs to date. The spectra are characterized mostly by emission from hydrogen recombination lines and accretion diagnostic lines. One MYSO shows photospheric H I absorption, a comparison with spectral standards indicates that the star is an A-type star with a low surface gravity, implying that the MYSOs are probably swollen, as also suggested by evolutionary calculations. An investigation of the Brγ line profiles shows that most are in pure emission, while 13 ± 5 per cent display P Cygni profiles, indicative of outflow, while less than 8 ± 4 per cent have inverse P Cygni profiles, indicative of infall. These values are comparable with investigations into the optically bright Herbig Be stars, but not with those of Herbig Ae and T Tauri stars, consistent with the notion that the more massive stars undergo accretion in a different fashion than lower mass objects that are undergoing magnetospheric accretion. Accretion luminosities and rates as derived from the Br γ line luminosities agree with results for lower mass sources, providing tentative evidence for massive star formation theories based on scaling of low-mass scenarios. We present Br γ/Br12 line profile ratios exploiting the fact that optical depth effects can be traced as a function of Doppler shift across the lines. These show that the winds of MYSOs in this sample are nearly equally split between constant, accelerating and decelerating velocity structures. There are no trends between the types of features we see and bolometric luminosities or near-infrared colours.

Broad screening and identification of β-agonists in feed and animal body fluid and tissues using ultra-high performance liquid chromatography-quadrupole-orbitrap high resolution mass spectrometry combined with spectra library search.

PubMed

Li, Tingting; Cao, Jingjing; Li, Zhen; Wang, Xian; He, Pingli

2016-02-01

Broad screening and identification of β-agonists in feed, serum, urine, muscle and liver samples was achieved in a quick and highly sensitive manner using ultra high performance liquid chromatography-quadrupole-orbitrap high resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) combined with a spectra library search. Solid-phase extraction technology was employed for sample purification and enrichment. After extraction and purification, the samples were analyzed using a Q-Orbitrap high-resolution mass spectrometer under full-scan and data-dependent MS/MS mode. The acquired mass spectra were compared with an in-house library (compound library and MS/MS mass spectral library) built with TraceFinder Software which contained the M/Z of the precursor ion, chemical formula, retention time, character fragment ions and the entire MS/MS spectra of 32 β-agonist standards. Screening was achieved by comparing 5 key mass spectral results and positive matches were marked. Using the developed method, the identification results from 10 spiked samples and 238 actual samples indicated that only 2% of acquired mass spectra produced false identities. The method validation results showed that the limit of detection ranged from 0.021-3.854 μg kg(-1)and 0.015-1.198 ng mL(-1) for solid and liquid samples, respectively. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effects of sample preparation on the infrared reflectance spectra of powders

NASA Astrophysics Data System (ADS)

Brauer, Carolyn S.; Johnson, Timothy J.; Myers, Tanya L.; Su, Yin-Fong; Blake, Thomas A.; Forland, Brenda M.

2015-05-01

While reflectance spectroscopy is a useful tool for identifying molecular compounds, laboratory measurement of solid (particularly powder) samples often is confounded by sample preparation methods. For example, both the packing density and surface roughness can have an effect on the quantitative reflectance spectra of powdered samples. Recent efforts in our group have focused on developing standard methods for measuring reflectance spectra that accounts for sample preparation, as well as other factors such as particle size and provenance. In this work, the effect of preparation method on sample reflectivity was investigated by measuring the directional-hemispherical spectra of samples that were hand-loaded as well as pressed into pellets using an integrating sphere attached to a Fourier transform infrared spectrometer. The results show that the methods used to prepare the sample can have a substantial effect on the measured reflectance spectra, as do other factors such as particle size.

Ga + TOF-SIMS lineshape analysis for resolution enhancement of MALDI MS spectra of a peptide mixture

NASA Astrophysics Data System (ADS)

Malyarenko, D. I.; Chen, H.; Wilkerson, A. L.; Tracy, E. R.; Cooke, W. E.; Manos, D. M.; Sasinowski, M.; Semmes, O. J.

2004-06-01

The use of mass spectrometry to obtain molecular profiles indicative of alteration of concentrations of peptides in body fluids is currently the subject of intense investigation. For surface-based time-of-flight mass spectrometry the reliability and specificity of such profiling methods depend both on the resolution of the measuring instrument and on the preparation of samples. The present work is a part of a program to use Ga + beam TOF-SIMS alone, and as an adjunct to MALDI, in the development of reliable protein and peptide markers for diseases. Here, we describe techniques to prepare samples of relatively high-mass peptides, which serve as calibration standards and proxies for biomarkers. These are: Arg8-vasopressin, human angiotensin II, and somatostatin. Their TOF-SIMS spectra show repeatable characteristic features, with mass resolution exceeding 2000, including parent peaks and chemical adducts. The lineshape analysis for high-resolution parent peaks is shown to be useful for filter construction and deconvolution of inferior resolution SELDI-TOF spectra of calibration peptide mixture.

Structures and vibrational spectra of pinacol.. 1. Infrared and matrix infrared spectra of monomeric pinacol. Ab initio calculations on conformers and vibrational frequencies

NASA Astrophysics Data System (ADS)

Dahlqvist, Martti; Hotokka, Matti; Räsänen, Markku

1998-04-01

The infrared spectra of monomeric pinacol molecules (2,3-dimethyl-2,3-butanediol; (CH 3) 2C(OH)C(OH)(CH 3) 2) have been recorded in the gas phase and dilute nonpolar solutions, and in an argon matrix. The vibrational data are consistent with the intramolecularly hydrogen-bonded G-type (gauche with respect to the central C-C bond) conformers and there is no evidence for the T-type (trans with respect to the central C-C bond) conformers, which have been observed in the condensed phases. This was confirmed by studying the infrared region 835-815 cm -1, which was found to be the most indicative to show spectral changes within the type of the conformers. In this region the band of the T-type conformers (assigned to the hybridized asymmetric vibration of the central CC and CO stretching modes) disappears when going from the condensed phases to phases, where pinacol molecules are monomeric. Ab initio HF/6-311G** (MP2/6-311G**) calculations support the experimental findings; the calculated relative energies for the tGg', gGg', g'Gg', tTt, and gTg' conformers are 0.0 (0.0), 3.4 (3.4), 5.1 (5.9), 7.9 (11.3), and 12.0 (14.0) kJ mol -1, respectively. Consequently, only the G-type conformers are sufficiently populated to give rise to observable spectral lines. Both experimental findings and theoretical calculations demonstrated that the bands in the argon matrix spectrum of pinacol are due to the most stable tGg' conformer. Although the ab initio calculations predict that also the gGg' and g'Gg' conformers are present in the gas phase and in dilute nonpolar solutions their existence could not be confirmed experimentally. Hence, we conclude that the conformation sensitive bands may coincide in the spectra. The HF/6-311G** ab initio calculations for vibrational frequencies of pinacol are consistent with this conclusion, suggesting only small differences between the wavenumbers of the G-type conformers. Pinacol does not show infrared-induced photorotamerization in the low

IRAS low resolution spectra of 26 symbiotic stars

NASA Technical Reports Server (NTRS)

Stencel, Robert E.; Brugel, Edward W.; Goodwill, Michael E.

1990-01-01

Data related to the spectral scans for 26 symbiotic stars are described which were extracted from the IRAS low resolution database. Data from the 8-15- and 15-23-micron bands are merged in a program that scales the longer wavelength and produces a weighted average of the spectral scans for each source. The survey shows that active dust producers can probably be isolated and some theories related to the presence of dust emission features are discussed in terms of source variability for measurements made with low resolution spectra.

Urban cover mapping using digital, high-resolution aerial imagery

Treesearch

Soojeong Myeong; David J. Nowak; Paul F. Hopkins; Robert H. Brock

2003-01-01

High-spatial resolution digital color-infrared aerial imagery of Syracuse, NY was analyzed to test methods for developing land cover classifications for an urban area. Five cover types were mapped: tree/shrub, grass/herbaceous, bare soil, water and impervious surface. Challenges in high-spatial resolution imagery such as shadow effect and similarity in spectral...

Infrared reflectance spectra (2. 2-15. mu. m) of plagioclase feldspars

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

Nash, D.B.; Salisbury, J.W.

Laboratory results show that (1) the Christiansen frequency (CF) feature in mid-infrared reflectance spectra of powders can be used to accurately distinguish plagioclase composition, and (2) the wavelength position of the CF is not affected by vitrification of the plagioclase. Although the CF position does not distinguish glass from crystalline forms of plagioclase, other features (combination-tone, overtone, restrahlen bands) in the mid-IR spectra of plagioclase can be used for that purpose. These results have important implications for application of thermal emission spectroscopy to mapping the surface composition of regolith-covered planetary bodies like the Moon, Mars, and asteroids.

VizieR Online Data Catalog: Infrared properties of barium stars (Chen+, 2001)

NASA Astrophysics Data System (ADS)

Chen, P. S.

2001-04-01

We present the results of a systematic survey for IRAS associations of barium stars. A total of 155 associations were detected, and IRAS low-resolution spectra exist for 50 barium stars. We use different color-color diagrams from the visual band to 60μm, relations between these colors and the spectral type, the barium intensity, and the IRAS low-resolution spectra to discuss physical properties of barium stars in the infrared. It is confirmed that most barium stars have infrared excesses in the near infrared. However, a new result of this work is that most barium stars have no excesses in the far infrared. This fact may imply that infrared excesses of barium stars are mainly due to the re-emission of energy lost from the Bond-Neff depression. It is also shown that the spectral type and the barium intensity of barium stars are not correlated with infrared colors, but may be correlated with V-K color. (1 data file).

Skew Projection of Echo-Detected EPR Spectra for Increased Sensitivity and Resolution

PubMed Central

Bowman, Michael K.; Krzyaniak, Matthew D.; Cruce, Alex A.; Weber, Ralph T.

2013-01-01

The measurement of EPR spectra during pulsed EPR experiments is commonly accomplished by recording the integral of the electron spin echo as the applied magnetic field is stepped through the spectrum. This approach to echo-detected EPR spectral measurement (ED-EPR) limits sensitivity and spectral resolution and can cause gross distortions in the resulting spectra because some of the information present in the electron spin echo is discarded in such measurements. However, Fourier Transformation of echo shapes measured at a series of magnetic field values followed by skew projection onto either a magnetic field or resonance frequency axis can increase both spectral resolution and sensitivity without the need to trade one against the other. Examples of skew-projected spectra with single crystals, glasses and powders show resolution improvements as large as a factor of seven with sensitivity increases of as much as a factor of five. PMID:23644351

Skew projection of echo-detected EPR spectra for increased sensitivity and resolution

NASA Astrophysics Data System (ADS)

Bowman, Michael K.; Krzyaniak, Matthew D.; Cruce, Alex A.; Weber, Ralph T.

2013-06-01

The measurement of EPR spectra during pulsed EPR experiments is commonly accomplished by recording the integral of the electron spin echo as the applied magnetic field is stepped through the spectrum. This approach to echo-detected EPR spectral measurement (ED-EPR) limits sensitivity and spectral resolution and can cause gross distortions in the resulting spectra because some of the information present in the electron spin echo is discarded in such measurements. However, Fourier transformation of echo shapes measured at a series of magnetic field values followed by skew projection onto either a magnetic field or resonance frequency axis can increase both spectral resolution and sensitivity without the need to trade one against the other. Examples of skew-projected spectra with single crystals, glasses and powders show resolution improvements as large as a factor of seven with sensitivity increases of as much as a factor of five.

Analysis Of Irtf Spex Near-infrared Observations Of Uranus: Aerosol Optical Properties And Latitudinally Variable Methane

NASA Astrophysics Data System (ADS)

Tice, Dane; Irwin, P. G. J.; Fletcher, L. N.; Teanby, N. A.; Hurley, J.; Orton, G. S.; Davis, G. R.

2012-10-01

We present results from the analysis of near-infrared spectra of Uranus observed in August 2009 with the SpeX spectrograph at the NASA Infrared Telescope Facility (IRTF). Spectra range from 0.8 to 1.8 μm at a spatial resolution of 0.5” and a spectral resolution of R = 1,200. This data is particularly well-suited to characterize the optical properties of aerosols in the Uranian stratosphere and upper troposphere. This is in part due to its coverage shortward of 1.0 μm where methane absorption, which dominates the features in the Uranian near-infrared spectrum, weakens slightly. Another particularly useful aspect of the data is it’s specific, highly spectrally resolved (R > 4,000) coverage of the collision-induced hydrogen quadrupole absorption band at 825 nm, enabling us to differentiate between methane abundance and cloud opacity. An optimal-estimation retrieval code, NEMESIS, is used to analyze the spectra, and atmospheric models are developed that represent good agreement with data in the full spectral range analyzed. Aerosol single-scattering albedos that reveal a strong wavelength dependence will be discussed. Additionally, an analysis of latitudinal methane variability is undertaken, utilizing two methods of analysis. First, a reflectance study from locations along the central meridian is undertaken. The spectra from these locations are centered around 825 nm, where the collision-induced absorption feature of hydrogen is utilized to distinguish between latitudinal changes in the spectrum due to aerosol opacity and those due to methane variability. Secondly, high resolution retrievals from 0.8 - 0.9 μm portion of the spectrum and spectral resolutions between R = 4,000 and 4,500 are used to make the same distinction. Both methods will be compared and discussed, as will their indications supporting a methane enrichment in the equatorial region of the planet.

Infrared spectra of some sulfides and their analogs of binary composition in the long-wave region

NASA Technical Reports Server (NTRS)

Povarennykh, A. S.; Sidorenko, G. A.; Solntseva, L. S.; Solntsev, B. P.

1981-01-01

The far infrared spectra (500-60/cm) of some simple sulfides and their analogs were studied. In all, 22 minerals with different structure types were investigated, out of which 14 are sulfides (galena, alabandite, pyrrhotite, sphalerite, wurtzite, cinnabar, realgar, orpiment, getchelite antimonite, molybdenite, pyrite, marcasite and heazlewoodite) 6 arsenides (niccolite, domeykite, arsenopyrite, lollingite, rammelsbergite and skutterudite), one telluride (tetradymite) and native arsenic. The main bands of infrared absorption spectra of the minerals are compared with the relative strength of the interatomic bonds and their interpretation is given.

Near infrared spectra of muscovite, Tschermak substitution, and metamorphic reaction progress: Implications for remote sensing

NASA Astrophysics Data System (ADS)

Duke, Edward F.

1994-07-01

Near infrared (NIR) spectra of Precambrian metagraywacke in the Black Hills, South Dakota, demonstrate that reflectance spectroscopy can be used to monitor progressive changes in mineral chemistry as a function of metamorphic grade. The wavelength of a combination Al-O-H absorption band in muscovite, measured using both laboratory and field-portable NIR spectrometers, shifts from 2217 nm in the biotite zone to 2199 nm in the sillimanite + K-feldspar zone. The band shift corresponds to an increase in the Alvi content of muscovite, determined by electron microprobe, and is thus a monitor of Al2Si-1(Fe,Mg)-1 (Tschermak) exchange. Spectroscopic measurements such as these are useful in the case of aluminum-deficient rocks, which lack metamorphic index minerals or appropriate assemblages for thermobarometric studies, and in low-grade rocks (subgarnet zone), which lack quantitative indicators of metamorphic grade and are too fine grained for petrographic or microprobe studies. More important, spectroscopic detection of mineral-chemical variations in metamorphic rocks provides petrologists with a tool to recover information on metamorphic reaction histories from high-spectral-resolution aircraft or satellite remote sensing data.

Characterization of surface properties over permafrost soils using a high resolution mid-infrared camera as part of the Carbon in the Arctic Vulnerability Experiment (CARVE)

NASA Astrophysics Data System (ADS)

Steiner, N.; McDonald, K. C.; Podest, E.; Dinardo, S. J.; Miller, C. E.

2016-12-01

Freeze/thaw and hydrologic cycling have important influence over surface processes in Arctic ecosystems and in Arctic carbon cycling. The seasonal freezing and thawing of soils bracket negative and positive modes of CO2 and CH4 flux of the bulk landscape. Hydrologic processes, such as seasonal inundation of thawed tundra create a complex microtopography where greenhouse-gas sources and sinks occur over short distances. Because of a high spatial variability hydrologic features must be mapped at fine resolution. These mappings can then be compared to local and regional scale observations of surface conditions, such as temperature and freeze/thaw state, to create better estimates of these important surface fields. The Carbon in the Arctic Vulnerability Experiment (CARVE) monitors carbon gas cycling in Alaskan using aircraft-deployed gas sampling instruments along with remote sensing observations of the land surface condition. A nadir-pointed, forward looking infrared (FLIR) imager mounted on the CARVE air-craft is used to measure upwelling mid-infrared spectral radiance at 3-5 microns. The FLIR instrument was operated during the spring, summer and fall seasons, 2013 through 2015. The instantaneous field of view (IFOV) of the FLIR instrument allows for a sub-meter resolution from a height of 500 m. High resolution data products allows for the discrimination of individual landscape components such as soil, vegetation and surface water features in the image footprint. We assess the effectiveness of the FLIR thermal images in monitoring thawing and inundation processes at very high resolutions. Analyses of FLIR datasets over focused study areas emphasizing exploration of the FLIR dataset utility for detailed land surface characterization as related to surface moisture and temperature. Emphasis is given to the Barrow CMDL station site and employ the tram-based data collections there. We will also examine potential at other high latitude sites of interest, e.g. Atqasuk

High-Resolution Infrared Spectroscopic Observations of the Upper Scorpius Eclipsing Binary EPIC 203868608

NASA Astrophysics Data System (ADS)

Johnson, Marshall C.; Mace, Gregory N.; Kim, Hwihyun; Kaplan, Kyle; McLane, Jacob; Sokal, Kimberly R.

2017-06-01

EPIC 203868608 is a source in the ~10 Myr old Upper Scorpius OB association. Using K2 photometry and ground-based follow-up observations, David et al. (2016) found that it consists of two brown dwarfs with a tertiary object at a projected separation of ~20 AU; the former objects appear to be a double-lined eclipsing binary with a period of 4.5 days. This is one of only two known eclipsing SB2s where both components are below the hydrogen-burning limit. We present additional follow-up observations of this system from the IGRINS high-resolution near-infrared spectrograph at McDonald Observatory. Our measured radial velocities do not follow the orbital solution presented by David et al. (2016). Instead, our combined IGRINS plus literature radial velocity dataset appears to indicate a period significantly different than that of the eclipsing binary obvious from the K2 light curve. We will discuss possible scenarios to account for the conflicting observations of this system.

On the creation of high spatial resolution imaging spectroscopy data from multi-temporal low spatial resolution imagery

NASA Astrophysics Data System (ADS)

Yao, Wei; van Aardt, Jan; Messinger, David

2017-05-01

The Hyperspectral Infrared Imager (HyspIRI) mission aims to provide global imaging spectroscopy data to the benefit of especially ecosystem studies. The onboard spectrometer will collect radiance spectra from the visible to short wave infrared (VSWIR) regions (400-2500 nm). The mission calls for fine spectral resolution (10 nm band width) and as such will enable scientists to perform material characterization, species classification, and even sub-pixel mapping. However, the global coverage requirement results in a relatively low spatial resolution (GSD 30m), which restricts applications to objects of similar scales. We therefore have focused on the assessment of sub-pixel vegetation structure from spectroscopy data in past studies. In this study, we investigate the development or reconstruction of higher spatial resolution imaging spectroscopy data via fusion of multi-temporal data sets to address the drawbacks implicit in low spatial resolution imagery. The projected temporal resolution of the HyspIRI VSWIR instrument is 15 days, which implies that we have access to as many as six data sets for an area over the course of a growth season. Previous studies have shown that select vegetation structural parameters, e.g., leaf area index (LAI) and gross ecosystem production (GEP), are relatively constant in summer and winter for temperate forests; we therefore consider the data sets collected in summer to be from a similar, stable forest structure. The first step, prior to fusion, involves registration of the multi-temporal data. A data fusion algorithm then can be applied to the pre-processed data sets. The approach hinges on an algorithm that has been widely applied to fuse RGB images. Ideally, if we have four images of a scene which all meet the following requirements - i) they are captured with the same camera configurations; ii) the pixel size of each image is x; and iii) at least r2 images are aligned on a grid of x/r - then a high-resolution image, with a pixel

Effects of Sample Preparation on the Infrared Reflectance Spectra of Powders

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

Brauer, Carolyn S.; Johnson, Timothy J.; Myers, Tanya L.

2015-05-22

While reflectance spectroscopy is a useful tool in identifying molecular compounds, laboratory measurement of solid (particularly powder) samples often is confounded by sample preparation methods. For example, both the packing density and surface roughness can have an effect on the quantitative reflectance spectra of powdered samples. Recent efforts in our group have focused on developing standard methods for measuring reflectance spectra that accounts for sample preparation, as well as other factors such as particle size and provenance. In this work, the effect of preparation method on sample reflectivity was investigated by measuring the directional-hemispherical spectra of samples that were hand-packedmore » as well as pressed into pellets using an integrating sphere attached to a Fourier transform infrared spectrometer. The results show that the methods used to prepare the sample have a substantial effect on the measured reflectance spectra, as do other factors such as particle size.« less

Retrieval and characterization of ozone profiles from solar infrared spectra at the Jungfraujoch

NASA Astrophysics Data System (ADS)

Barret, B.; de MazièRe, M.; Demoulin, P.

2002-12-01

Vertical distributions of ozone from June 1996 to November 2000 have been retrieved from high-resolution Fourier transform infrared (FTIR) solar absorption spectra recorded at the primary Network for Detection of Stratospheric Change station of the Jungfraujoch in the Swiss Alps (46.5°N, 8°E, 3580 m above sea level (asl). The retrievals were performed using the Optimal Estimation Method (OEM), both in a narrow spectral interval (1002.567-1003.2 cm-1) and in a broad spectral interval (1000.0-1005.0 cm-1) in the O3 9.6-μm band. A thorough characterization of the retrievals has been performed following the lines of OEM, including an information content analysis, a study of the correlations between retrieved instrumental parameters and retrieved ozone concentrations, and an evaluation of the O3 profile error budget. It is demonstrated that the information content is significantly higher for spectra in the broad microwindow, resulting in higher vertical resolutions, on the order of 8 km, of the retrieved profiles extending up to 40 km, and less correlations between retrieved parameters. An independent statistical verification of the retrieval results and their characterization has been performed by comparison of the FTIR ozone profiles with independent measurements. These are the ozone profile measurements from balloon soundings at Payerne, from the microwave radiometer at Bern and the lidar at Observatoire de Haute-Provence (OHP), and the total column data from the Dobson spectrophotometer at Arosa. Applying the optimum retrieval procedure in the broad spectral interval, an excellent agreement has been found between the FTIR O3 profile data and the correlative data. The largest offset of the FTIR data in comparison with the correlative data is found with respect to the lidar data in the 24- to 40-km layer, and is on the order of 5%. No systematic biases have been found in the troposphere, neither in the upper troposphere-lower stratosphere (UTLS) up to 18 km. The

Theoretical Models of Low-Resolution Microwave Rotational Spectra of Ethane- and Propanethiol

NASA Astrophysics Data System (ADS)

Kadjar, Ch. O.; Kazimova, S. B.; Hasanova, A. S.; Ismailzadeh, G. I.; Menzeleyev, M. R.

2018-05-01

Additive modeling of low-resolution microwave spectra of heteroisomeric substituted hydrocarbons produced theoretical spectra of ethanethiol and propanethiol in the range 0-2 THz with maxima at 465 ± 20 and 240 ± 20 GHz. More precise calculations in a narrow frequency band of these ranges used spectral line half-widths of 1.5, 0.8, and 0.5 MHz that modeled conditions in different layers of Earth's troposphere. The strongest extrema of the low-resolution spectra of the studied molecules were found at 486 ± 5, 446 ± 5, and 436 ± 5 (ethanethiol) and at 257 ± 5, 239 ± 5, and 234 ± 5 GHz (propanethiol). Various aspects of the application of the results were discussed.

High-resolution scanning precession electron diffraction: Alignment and spatial resolution.

PubMed

Barnard, Jonathan S; Johnstone, Duncan N; Midgley, Paul A

2017-03-01

Methods are presented for aligning the pivot point of a precessing electron probe in the scanning transmission electron microscope (STEM) and for assessing the spatial resolution in scanning precession electron diffraction (SPED) experiments. The alignment procedure is performed entirely in diffraction mode, minimising probe wander within the bright-field (BF) convergent beam electron diffraction (CBED) disk and is used to obtain high spatial resolution SPED maps. Through analysis of the power spectra of virtual bright-field images extracted from the SPED data, the precession-induced blur was measured as a function of precession angle. At low precession angles, SPED spatial resolution was limited by electronic noise in the scan coils; whereas at high precession angles SPED spatial resolution was limited by tilt-induced two-fold astigmatism caused by the positive spherical aberration of the probe-forming lens. Copyright © 2016 Elsevier B.V. All rights reserved.

Development of a near-infrared high-resolution spectrograph (WINERED) for a survey of bulge stars

NASA Astrophysics Data System (ADS)

Tsujimoto, T.; Kobayashi, N.; Yasui, C.; Kondo, S.; Minami, A.; Motohara, K.; Ikeda, Y.; Gouda, N.

2008-07-01

We are developing a new near-infrared high-resolution (R[max] = 100,000) and high-sensitive spectrograph WINERED, which is specifically customized for short NIR bands at 0.9 1.35 μm. WINERED employs an innovative optical system; a portable design and a warm optics without any cold stops. The planned astrometric space mission JASMINE will provide precise positions, distances, and proper motions of the bulge stars. The missing components, the radial velocity and chemical composition will be measured by WINERED. These combined data brought by JASMINE and WINERED will certainly reveal the nature of the Galactic bulge. We plan to complete this instrument for observations of single objects by the end of 2008 and to attach it to various 4 10m telescopes as a PI-type instrument. We hope to upgrade WINERED with a multi-object feed in the future for efficient survey of the JASMINE bulge stars.

High-resolution optical coherence tomography, autofluorescence, and infrared reflectance imaging in Sjögren reticular dystrophy.

PubMed

Schauwvlieghe, Pieter-Paul; Torre, Kara Della; Coppieters, Frauke; Van Hoey, Anneleen; De Baere, Elfride; De Zaeytijd, Julie; Leroy, Bart P; Brodie, Scott E

2013-01-01

To describe the phenotype of three cases of Sjögren reticular dystrophy in detail, including high-resolution optical coherence tomography, autofluorescence imaging, and near-infrared reflectance imaging. Two unrelated teenagers were independently referred for ophthalmologic evaluation. Both underwent a full ophthalmologic workup, including electrophysiologic and extensive imaging with spectral-domain optical coherence tomography, autofluorescence imaging, and near-infrared reflectance imaging. In addition, mutation screening of ABCA4, PRPH2, and the mitochondrial tRNA gene was performed in Patient 1. Subsequently, the teenage sister of Patient 2 was examined. Strikingly similar phenotypes were present in these three patients. Fundoscopy showed bilateral foveal pigment alterations, and a lobular network of deep retinal, pigmented deposits throughout the posterior pole, tapering toward the midperiphery, with relative sparing of the immediate perifoveal macula and peripapillary area. This network is mildly to moderately hyperautofluorescent on autofluorescence and bright on near-infrared reflectance imaging. Optical coherence tomography showed abnormalities of the retinal pigment epithelium-Bruch membrane complex, photoreceptor outer segments, and photoreceptor inner/outer segment interface. The results of retinal function test were entirely normal. No molecular cause was detected in Patient 1. Imaging suggested that the lobular network of deep retinal deposits in Sjögren reticular dystrophy is the result of accumulation of both pigment and lipofuscin between photoreceptors and retinal pigment epithelium, as well as within the retinal pigment epithelium.

Infrared and Raman Spectra of Magnesium Ammonium Phosphate Hexahydrate (Struvite) and its Isomorphous Analogues. VIII. Spectra of Protiated and Partially Deuterated Magnesium Rubidium Phosphate Hexahydrate and Magnesium Thallium Phosphate Hexahydrate.

PubMed

Soptrajanov, Bojan; Cahil, Adnan; Najdoski, Metodija; Koleva, Violeta; Stefov, Viktor

2011-09-01

The infrared and Raman spectra of magnesium rubidium phosphate hexahydrate MgRbPO4 • 6H2O and magnesium thallium phosphate hexahydrate, MgTlPO4 • 6H2O were recorded at room temperature (RT) and the boiling temperature of liquid nitrogen (LNT). To facilitate their analysis, also recorded were the spectra of partially deuterated analogues with varying content of deuterium. The effects of deuteration and those of lowering the temperature were the basis of the conclusions drawn regarding the origin of the observed bands which were assigned to vibrations which are predominantly localized in the water molecules (four crystallographically different types of such molecules exist in the structures) and those with PO43- character. It was concluded that in some cases coupling of phosphate and water vibrations is likely to take place. The appearance of the infrared spectra in the O-H stretching regions of the infrared spectra is explained as being the result of an extensive overlap of bands due to components of the fundamental stretching modes of the H2O units with a possible participation of bands due to second-order transitions. A broad band reminiscent of the B band of the well-known ABC trio characteristic of spectra of substances containing strong hydrogen bonds in their structure was found around 2400 cm-1 in the infrared spectra of the two studied compounds.

High-angular-resolution stellar imaging with occultations from the Cassini spacecraft - III. Mira

NASA Astrophysics Data System (ADS)

Stewart, Paul N.; Tuthill, Peter G.; Nicholson, Philip D.; Hedman, Matthew M.

2016-04-01

We present an analysis of spectral and spatial data of Mira obtained by the Cassini spacecraft, which not only observed the star's spectra over a broad range of near-infrared wavelengths, but was also able to obtain high-resolution spatial information by watching the star pass behind Saturn's rings. The observed spectral range of 1-5 microns reveals the stellar atmosphere in the crucial water-bands which are unavailable to terrestrial observers, and the simultaneous spatial sampling allows the origin of spectral features to be located in the stellar environment. Models are fitted to the data, revealing the spectral and spatial structure of molecular layers surrounding the star. High-resolution imagery is recovered revealing the layered and asymmetric nature of the stellar atmosphere. The observational data set is also used to confront the state-of-the-art cool opacity-sampling dynamic extended atmosphere models of Mira variables through a detailed spectral and spatial comparison, revealing in general a good agreement with some specific departures corresponding to particular spectral features.

Simultaneous digital super-resolution and nonuniformity correction for infrared imaging systems.

PubMed

Meza, Pablo; Machuca, Guillermo; Torres, Sergio; Martin, Cesar San; Vera, Esteban

2015-07-20

In this article, we present a novel algorithm to achieve simultaneous digital super-resolution and nonuniformity correction from a sequence of infrared images. We propose to use spatial regularization terms that exploit nonlocal means and the absence of spatial correlation between the scene and the nonuniformity noise sources. We derive an iterative optimization algorithm based on a gradient descent minimization strategy. Results from infrared image sequences corrupted with simulated and real fixed-pattern noise show a competitive performance compared with state-of-the-art methods. A qualitative analysis on the experimental results obtained with images from a variety of infrared cameras indicates that the proposed method provides super-resolution images with significantly less fixed-pattern noise.

THE NASA AMES POLYCYCLIC AROMATIC HYDROCARBON INFRARED SPECTROSCOPIC DATABASE: THE COMPUTED SPECTRA

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

Bauschlicher, C. W.; Ricca, A.; Boersma, C.

The astronomical emission features, formerly known as the unidentified infrared bands, are now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory experiments and computational modeling done at the NASA Ames Research Center to create a collection of PAH IR spectra relevant to test and refine the PAH hypothesis have been assembled into a spectroscopic database. This database now contains over 800 PAH spectra spanning 2-2000 {mu}m (5000-5 cm{sup -1}). These data are now available on the World Wide Web at www.astrochem.org/pahdb. This paper presents an overview of the computational spectra in the database and the tools developed to analyzemore » and interpret astronomical spectra using the database. A description of the online and offline user tools available on the Web site is also presented.« less

Application of High-Resolution Thermal Infrared Remote Sensing and GIS to Assess the Urban Heat Island Effect

NASA Technical Reports Server (NTRS)

Lo, C. P.; Quattrochi, D. A.; Luvall, J. C.

1997-01-01

Day and night airborne thermal infrared image data at 5 m spatial resolution acquired with the 15-channel (0.45 micron - 12.2 micron) Advanced Thermal and Land Applications Sensor (ATLAS) over Alabama, Huntsville on 7 September, 1994 were used to study changes in the thermal signatures of urban land cover types between day and night. Thermal channel number 13 (9.6 micron - 10.2 micron) data with the best noise-equivalent temperature change (NEAT) of 0.25 C after atmospheric corrections and temperature calibration were selected for use in this analysis. This research also examined the relation between land cover irradiance and vegetation amount, using the Normalized Difference Vegetation Index (NDVI), obtained by ratioing the difference and the sum of the red (channel number 3: 0.60-0.63 micron) and reflected infrared (channel number 6: 0.76-0.90 micron) ATLAS data. Based on the mean radiance values, standard deviations, and NDVI extracted from 351 pairs of polygons of day and night channel number 13 images for the city of Huntsville, a spatial model of warming and cooling characteristics of commercial, residential, agricultural, vegetation, and water features was developed using a GIS approach. There is a strong negative correlation between NDVI and irradiance of residential, agricultural, and vacant/transitional land cover types, indicating that the irradiance of a land cover type is greatly influenced by the amount of vegetation present. The predominance of forests, agricultural, and residential uses associated with varying degrees of tree cover showed great contrasts with commercial and services land cover types in the center of the city, and favors the development of urban heat islands. The high-resolution thermal infrared images match the complexity of the urban environment, and are capable of characterizing accurately the urban land cover types for the spatial modeling of the urban heat island effect using a GIS approach.

A Quantum Band Model of the nu3 Fundamental of Methanol (CH3OH) and Its Application to Fluorcescence Spectra of Comets

NASA Technical Reports Server (NTRS)

Villanueva, Geronimo L.; DiSanti, M. A.; Mumma, M. J.; Xu, L.-H.

2012-01-01

Methanol (CH3OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the 3 fundamental band of methanol at 2844 / cm (3.52 micron) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K.We validated the model by comparing simulations of CH3OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the nu3 band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths

Chemical abundance analysis of 13 southern symbiotic giants from high-resolution spectra at ˜1.56 μm

NASA Astrophysics Data System (ADS)

Gałan, Cezary; Mikołajewska, Joanna; Hinkle, Kenneth H.; Joyce, Richard R.

2017-04-01

Symbiotic stars (SySt) are binaries composed of a star in the later stages of evolution and a stellar remnant. The enhanced mass-loss from the giant drives interacting mass exchange and makes these systems laboratories for understanding binary evolution. Studies of the chemical compositions are particularly useful since this parameter has strong impact on the evolutionary path. The previous paper in this series presented photospheric abundances for 24 giants in S-type SySt enabling a first statistical analysis. Here, we present results for an additional sample of 13 giants. The aims are to improve statistics of chemical composition involved in the evolution of SySt, to study evolutionary status, mass transfer and to interpret this in terms of Galactic populations. High-resolution, near-IR spectra are used, employing the spectrum synthesis method in a classical approach, to obtain abundances of CNO and elements around the iron peak (Fe, Ti, Ni). Low-resolution spectra in the region around the Ca II triplet were used for spectral classification. The metallicities obtained cover a wide range with a maximum around ˜- 0.2 dex. The enrichment in the 14N isotope indicates that these giants have experienced the first dredge-up. Relative O and Fe abundances indicate that most SySt belong to the Galactic disc; however, in a few cases, the extended thick-disc/halo is suggested. Difficult to explain, relatively high Ti abundances can indicate that adopted microturbulent velocities were too small by ˜0.2-0.3 km s-1. The revised spectral types for V2905 Sgr, and WRAY 17-89 are M3 and M6.5, respectively.

Correlation of quality measurements to visible-near infrared spectra of pasteurized egg

USDA-ARS?s Scientific Manuscript database

A twelve week study was conducted on the egg albumen from both pasteurized and non-pasteurized shell eggs using visible-near infrared spectroscopy. Correlation of the chemical changes detected in the spectra to the measurement of Haugh units (measure of interior egg quality) was carried out using ch...

Matrix isolation infrared and Raman spectra of binary and mixed group II B fluorides

NASA Astrophysics Data System (ADS)

Givan, A.; Loewenschuss, A.

1980-03-01

Infrared and Raman spectra of all MF2 and MFX molecules (M=Zn, Cd, Hg; X=Cl, Br) and the infrared spectrum of the fluoroidide HgFI isolated in solid krypton at 20 °K are reported. The MFX species were formed in a vapor mixture of the appropriate MF2 and MX2 dihalides, vaporized, at different temperatures, from separate compartments of a double-oven crucible. The spectra are the first experimental evidence for the existence of the molecular fluorohalides. All three fundamentals of the MF2 molecules and the two stretching mode frequencies of the MFX molecules are assigned. Harmonic force constants are evaluated and isotope effects are used to discuss their geometry. Thermodynamic functions are tabulated for the binary difluorides.

High-Resolution Spectroscopy of Stratospheric Ethane Following the Jupiter Impact of 2009

NASA Technical Reports Server (NTRS)

Fast, Kelly; Kostiuk, Theodor; Livengood, Timothy A.; Hewagama, Tilak; Amen, John

2010-01-01

We report on high-resolution infrared spectroscopy of ethane (C2H6) performed at the latitude of an impact site on Jupiter discovered on 19 July 2009 by A. Wesley from a location in Murrumbateman, Australia. The observations used the NASA Goddard Space Flight Center's Heterodyne Instrument for Planetary Wind and Composition (HIPWAC) at the NASA Infrared Telescope Facility (IRTF) on Mauna Kea, Hawaii. HIPWAC is a mid-infrared (9-12 microns) heterodyne spectrometer operating at the highest limit of spectral resolving power (lambda\\Delta\\lambda > l06), providing information on atmospheric constituent abundance and temperature through fully resolved tine shapes. Ethane is a stable trace product of methane photochemistry that is nearly uniformly mixed in Jupiter's stratosphere, providing an effective probe of that altitude region. Ethane emission line profiles near 11,74 microns in the Ug band were measured in Jupiter's stratosphere at 25 MHz (11.00083/cm) resolution. A sequence of spectra of ethane acquired over a range of longitude at the impact latitude (56S planetocentric) probes constituent abundance and temperature profile, both on and off the impact region. Near the site of the impact, ethane emission increased above levels measured well outside the impact region. Radiative transfer analysis indicates increased ethane mole fraction (30% greater). Variation in the measured continuum level and line intensities within 75deg of the impact longitude indicate the presence of an opacity source (haze) at altitudes near and above the tropopause and as high as the 10-mbar level near the impact site. The indication of possible haze opacity up to the 10-mbar level in the atmosphere is consistent with measurements made by HIPWAC's predecessor as part of the IRTF Shoemaker Levy-9 campaign in 1994.

High-Resolution X-Ray Spectra of the Symbiotic Star SS73 17

NASA Technical Reports Server (NTRS)

Eze, R. N. C.; Luna, G. J. M.; Smith, R. K.

2010-01-01

SS73 17 was an innocuous Mira-type symbiotic star until the International Gamma-Ray Astrophysics Laboratory and Swift discovered its bright hard X-ray emission, adding it to the small class of "hard X-ray emitting symbiotics." Suzaku observations in 2006 then showed it emits three bright iron lines as well, with little to no emission in the 0.3-2.0 keV bandpass. We present here follow-up observations with the Chandra High Energy Transmission Grating and Suzaku that confirm the earlier detection of strong emission lines of Fe K(alpha) fluorescence, Fe XXV and Fe XXVI but also show significantly more soft X-ray emission. The high-resolution spectrum also shows emission lines of other highly ionized ions as Si xiv and possibly S XVI. In addition, a re-analysis of the 2006 Suzaku data using the latest calibration shows that the hard (15-50 keV) X-ray emission is brighter than previously thought and remains constant in both the 2006 and 2008 data. The G ratio calculated from the Fe xxv lines shows that these lines are thermal, not photoionized, in origin.With the exception of the hard X-ray emission, the spectra from both epochs can be fit using thermal radiation assuming a differential emission measure based on a cooling-flow model combined with a full and partial absorber. We show that acceptable fits can be obtained for all the data in the 1-10 keV band varying only the partial absorber. Based on the temperature and accretion rate, the thermal emission appears to be arising from the boundary layer between the accreting white dwarf and the accretion disk.

Meridional Variations of C2H2 and C2H6 in Jupiter's Atmosphere from Cassini CIRS Infrared Spectra

NASA Technical Reports Server (NTRS)

Nixon, C. A.; Achterberg, R. K.; Conrath, B. J.; Irwin, P. G. J.; Fouchet, T.; Parrish, P. D.; Abbas, M.; LeClaire, A.; Romani, P. N.; Simon-Miller, A. A.

2004-01-01

The abundances of hydrocarbons such as acetylene (C2H2) and ethane (C2H6) in Jupiter's atmosphere are important physical quantities, constraining our models of the chemical and dynamical processes. However, our knowledge of these quantities and their vertical and latitudinal variations has remained sparse. The flyby of the Cassini spacecraft with Jupiter at the end of 2000 provided an excellent opportunity to observe the infrared spectrum with the Composite Infrared Spectrometer (CIRS) instrument, mapping the spatial variation of emissions from 10-1400 cm-1. CIRS spectra taken at the highest resolution (0.5 cm-1) in early December 2000 have been analysed to infer atmospheric temperatures in the stratosphere at 0.5-20 mbar via the v4 of CH4, and in the troposphere at 100-400 mbar, via the hydrogen collision-induced continuum absorption at 600-800 cm. Simultaneously, we have searched for meridional abundance variations in C2H2 and C2H6 via the v5 and vg bands respectively. Tropospheric absorption and stratospheric emission are highly anti-correlated at the CIM resolution, introducing a non-uniqueness into the retrievals, which means that vertical gradient and column abundance cannot be simultaneously found without additional constraints. If we assume the profile shapes from photochemical model calculations, we show that the column abundance of C2H2 must decrease sharply towards the poles, while C2H6 is constant or slightly increasing. The relevance of these results to current photochemical and dynamical knowledge of Jupiter's atmosphere is discussed.

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.

The 2ν2 bands of H212CO and H213CO by high-resolution FTIR spectroscopy

NASA Astrophysics Data System (ADS)

Tan, T. L.; A'dawiah, Rabia'tul; Ng, L. L.

2017-10-01

The Fourier transform infrared (FTIR) absorption spectra of the 2ν2 overtone bands of formaldehyde H212CO and its isotopologue H213CO were recorded at an unapodized resolution of 0.0063 cm-1 in the 3300-3540 cm-1 region. Upper state (v2 = 2) rovibrational up to two sextic centrifugal distortion constants were accurately determined for both H212CO and H213CO. A total of 533 unperturbed infrared transitions of H212CO and 466 unperturbed infrared transitions of H212CO were assigned and fitted with rms deviations of 0.0012 cm-1 and 0.00084 cm-1 respectively using Watson's A-reduced Hamiltonian in the Ir representation. Analysis of new transitions for H212CO measured in this work yielded upper state constants with greater accuracy than previously reported. The infrared transitions of the 2ν2 band of H213CO were measured for the first time. The band center of the A-type 2ν2 band of H212CO was found to be 3471.71403 ± 0.00012 cm-1 and that of H213CO was 3396.628983 ± 0.000083 cm-1. Furthermore, the newly assigned high-resolution infrared lines of the 2ν2 bands in the 3300-3540 cm-1 region can be useful in detecting the H212CO and H213CO molecules in this IR region.

High resolution spectrograph. [for LST

NASA Technical Reports Server (NTRS)

Peacock, K.

1975-01-01

The high resolution spectrograph (HRS) is designed to be used with the Large Space Telescope (LST) for the study of spectra of point and extended targets in the spectral range 110 to 410 nm. It has spectral resolutions of 1,000; 30,000; and 100,000 and has a field of view as large as 10 arc sec. The spectral range and resolution are selectable using interchangeable optical components and an echelle spectrograph is used to display a cross dispersed spectrum on the photocathode of either of 2 SEC orthicon image tubes. Provisions are included for wavelength calibration, target identification and acquisition and thermal control. The system considerations of the instrument are described.

Production of Ti-C presolar carbide grain analogies and its infrared spectra

NASA Astrophysics Data System (ADS)

Kimura, Y.; Ikegami, A.; Tanigaki, T.; Ishikawa, M.; Sato, T.; Suzuki, H.; Kido, O.; Kaito, C.

The infrared emission of the circumstellar environment of carbon-rich stars and dense molecular cloud cores is believed to be dominated by the emissivity of carbon dust. The origins of absorption peaks will be identified on the basis of laboratory studies. Important factors in the determination of absorption features are size, shape and structure of the grain (Bohren and Huffman, 1983). Therefore, the production of presolar grain analogy is important for the identification of the observation spectra. Recently, we succeeded in the formation of Si-, Ti- and Zr-C grains of the order of 50 nm by advanced gas evaporation method. We have started to obtain characteristic data of carbide grains in laboratory experiments. The spectra from ultraviolet to infrared of samples embedded in KBr pellets are presented. In the present study, we will elucidate the correlation between the size of TiC grain or thickness of the carbon mantle layer and spectra of TiC core-carbon mantle grains. Because TiC is one of the candidates of 21 micron feature. The absorption peaks of TiC core (50 nm)-carbon mantle (2 nm) grains were found to be at 9.5 and 12.5 microns. When the thickness of the mantle layer increased to 15 nm, the peak at 12.5 microns disappeared and the peak at 9.5 microns was significantly weakened. These results are similar to the calculated result for SiC core-carbon mantle grains, i.e., increased thickness of the mantle layer weakens the spectrum intensity (Kozasa et al., 1996). The 20.1 micron absorption feature never appeared, even if the same size grains seen in meteorites were produced. Moreover, the infrared spectra were observed when the size of TiC grains was smaller than presolar grain. Carbon was deposited on the surface of Ti grains. Then, TiC nanocrystallites with the size of 2-3 nm were produced by the diffusion of Ti and/or carbon. The new absorption feature was appeared at 14 microns. The 12.5 micron absorption was hardly seen. If the samples are heated at 700

High Resolution Thz and FIR Spectroscopy of SOCl_2

NASA Astrophysics Data System (ADS)

Martin-Drumel, M. A.; Cuisset, A.; Sadovskii, D. A.; Mouret, G.; Hindle, F.; Pirali, O.

2013-06-01

Thionyl chloride (SOCl_2) is an extremely powerful oxidant widely used in industrial processes and playing a role in the chemistry of the atmosphere. In addition, it has a molecular configuration similar to that of phosgene (COCl_2), and is therefore of particular interest for security and defense applications. Low resolution vibrational spectra of gas phase SOCl_2 as well as high resolution pure rotational transitions up to 25 GHz have previously been investigated. To date no high resolution data are reported at frequencies higher than 25 GHz. We have investigated the THz absorption spectrum of SOCl_2 in the spectral region 70-650 GHz using a frequency multiplier chain coupled to a 1 m long single path cell containing a pressure of about 15 μbar. At the time of the writing, about 8000 pure rotational transitions of SO^{35}Cl_2 with highest J and K_a values of 110 and 50 respectively have been assigned on the spectrum. We have also recorded the high resolution FIR spectra of SOCl_2 in the spectral range 50-700 wn using synchrotron radiation at the AILES beamline of SOLEIL facility. A White-type cell aligned with an absorption path length of 150 m has been used to record, at a resolution of 0.001 wn, two spectra at pressures of 5 and 56 μbar of SOCl_2. On these spectra all FIR modes of SOCl_2 are observed (ν_2 to ν_6) and present a resolved rotational structure. Their analysis is in progress. T. J. Johnson et al., J. Phys. Chem. A 107, 6183 (2003) D. E. Martz and R. T. Lagemann, J. Chem. Phys. 22,1193 (1954) H. S. P. Müller and M. C. L. Gerry, J. Chem. Soc. Faraday Trans. 90, 3473 (1994)

Visible and near-infrared (0.4-2.5 μm) reflectance spectra of playa evaporite minerals

USGS Publications Warehouse

Crowley, James K.

1991-01-01

Visible and near-infrared (VNIR; 0.4–2.4 μm) reflectance spectra were recorded for 35 saline minerals that represent the wide range of mineral and brine chemical compositions found in playa evaporite settings. The spectra show that many of the saline minerals exhibit diagnostic near-infrared absorption bands, chiefly attributable to vibrations of hydrogen-bonded structural water molecules. VNIR reflectance spectra can be used to detect minor hydrate phases present in mixtures dominated by anhydrous halite or thenardite, and therefore will be useful in combination with X ray diffraction data for characterizing natural saline mineral assemblages. In addition, VNIR reflectance spectra are sensitive to differences in sample hydration state and should facilitate in situ studies of minerals that occur as fragile, transitory dehydration products in natural salt crusts. The use of spectral reflectance measurements in playa studies should aid in mapping evaporite mineral distributions and may provide insight into the geochemical and hydrological controls on playa mineral and brine development.

Small particle cirrus observed by the Atmospheric Infrared Sounder

NASA Astrophysics Data System (ADS)

Kahn, B. H.; Eldering, A.; Fishbein, E. F.

2003-04-01

The high-resolution spectra of the Atmospheric Infrared Sounder (AIRS) have provided an opportunity to globally observe small particle-dominated cirrus clouds. The shape of the radiance spectra in the atmospheric windows is uniquely influenced by small ice crystals with an effective radius (reff) of a few 10s of microns and smaller. In some rare instances, minima in the AIRS brightness temperature (BT) spectra between 800 to 850 cm-1 are seen, consistent with the existence of ice particles with an reff smaller than 3 microns. Much more frequent occurences of small ice particle clouds with reff larger than 3 microns are observed through the large 998 to 811 cm-1 BT differences without minima. The small particle events are occasionally found in orographic cirrus clouds, in and around cumulonimbus towers, and in cirrus bands far removed from convection and orography. Several cases spanning the variety of small particle-dominated cirrus events will be presented. AIRS, located on the EOS-Aqua platform, is a high-resolution grating spectrometer that scans at angles 49.5 degrees on either side of nadir view, at both visible and infrared wavelengths. The surface footprint is 13.5 km at the nadir view, and coverage in the infrared is in three bandpasses (649-1136, 1265-1629, and 2169-2674 cm-1). Comparisons of observed spectra are made with simulated spectra generated by a plane-parallel scattering radiative transfer model using ice particle shapes and sizes calculated by the T-matrix method. These comparisons yield information on small particle cirrus cloud reff and optical depth. Aumann, H.H., and R.J. Pagano, Atmospheric Infrared Sounder on the Earth Observing System. Opt. Eng. 33, 776-784, 1994. Mishchenko, M.I., and L.D. Travis, Capabilities and limitations of a current Fortran implementation of the T-matrix method for randomly oriented, rotationally symmetric scatterers. J. Quant. Spectrosc. Radiat. Transfer, 60, 309-324, 1998. Moncet, J.L., and S.A. Clough

High spatial and spectral resolution measurements of Jupiter's auroral regions using Gemini-North-TEXES

NASA Astrophysics Data System (ADS)

Sinclair, J. A.; Orton, G. S.; Greathouse, T. K.; Lacy, J.; Giles, R.; Fletcher, L. N.; Vogt, M.; Irwin, P. G.

2017-12-01

Jupiter exhibits auroral emission at a multitude of wavelengths. Auroral emission at X-ray, ultraviolet and near-infrared wavelengths demonstrate the precipitation of ion and electrons in Jupiter's upper atmosphere, at altitudes exceeding 250 km above the 1-bar level. Enhanced mid-infrared emission of CH4, C2H2, C2H4 and further hydrocarbons is also observed coincident with Jupiter's auroral regions. Retrieval analyses of infrared spectra from IRTF-TEXES (Texas Echelon Cross Echelle Spectrograph on NASA's Infrared Telescope Facility) indicate strong heating at the 1-mbar level and evidence of ion-neutral chemistry, which enriches the abundances of unsaturated hydrocarbons (Sinclair et al., 2017b, doi:10.1002/2017GL073529, Sinclair et al., 2017c (under review)). The extent to which these phenomena in the stratosphere are correlated and coupled physically with the shorter-wavelength auroral emission originating from higher altitudes has been a challenge due to the limited spatial resolution available on the IRTF. Smaller-scale features observed in the near-infrared and ultraviolet emission, such as the main `oval', transient `swirls' and dusk-active regions within the main oval (e.g. Stallard et al., 2014, doi:10.1016/j/Icarus.2015.12.044, Nichols et al., 2017, doi: 10.1002/2017GL073029) are potentially being blurred in the mid-infrared by the diffraction-limited resolution (0.7") of IRTF's 3-metre primary aperture. However, on March 17-19th 2017, we obtained spectral measurements of H2 S(1), CH4, C2H2, C2H4 and C2H6 emission of Jupiter's high latitudes using TEXES on Gemini-North, which has a 8-metre primary aperture. This rare opportunity combines the superior spectral resolving power of TEXES and the high spatial resolution provided by Gemini-North's 8-metre aperture. We will perform a retrieval analyses to determine the 3D distributions of temperature, C2H2, C2H4 and C2H6. The morphology will be compared with near-contemporaneous measurements of H3+ emission from

MISTiC Winds, a Micro-Satellite Constellation Approach to High Resolution Observations of the Atmosphere using Infrared Sounding and 3D Winds Measurements

NASA Astrophysics Data System (ADS)

Maschhoff, K. R.; Polizotti, J. J.; Aumann, H. H.; Susskind, J.

2017-12-01

MISTiCTM Winds is an approach to improve short-term weather forecasting based on a miniature high resolution, wide field, thermal emission spectrometry instrument that will provide global tropospheric vertical profiles of atmospheric temperature and humidity at high (3-4 km) horizontal and vertical ( 1 km) spatial resolution. MISTiC's extraordinarily small size, payload mass of less than 15 kg, and minimal cooling requirements can be accommodated aboard a ESPA-Class (50 kg) micro-satellite. Low fabrication and launch costs enable a LEO sun-synchronous sounding constellation that would provide frequent IR vertical profiles and vertically resolved atmospheric motion vector wind observations in the troposphere. These observations are highly complementary to present and emerging environmental observing systems, and would provide a combination of high vertical and horizontal resolution not provided by any other environmental observing system currently in operation. The spectral measurements that would be provided by MISTiC Winds are similar to those of NASA's Atmospheric Infrared Sounder. These new observations, when assimilated into high resolution numerical weather models, would revolutionize short-term and severe weather forecasting, save lives, and support key economic decisions in the energy, air transport, and agriculture arenas-at much lower cost than providing these observations from geostationary orbit. In addition, this observation capability would be a critical tool for the study of transport processes for water vapor, clouds, pollution, and aerosols. In this third year of a NASA Instrument incubator program, the compact infrared spectrometer has been integrated into an airborne version of the instrument for high-altitude flights on a NASA ER2. The purpose of these airborne tests is to examine the potential for improved capabilities for tracking atmospheric motion-vector wind tracer features, and determining their height using hyper-spectral sounding and

Water Vapor in Titan’s Stratosphere from Cassini CIRS Far-infrared Spectra

NASA Astrophysics Data System (ADS)

Cottini, Valeria; Nixon, C. A.; Jennings, D. E.; Anderson, C. M.; Gorius, N.; Bjoraker, G. L.; Coustenis, A.; Teanby, N. A.; Achterberg, R. K.; Bézard, B.; de Kok, R.; Lellouch, E.; Irwin, P. G. J.; Flasar, F. M.; Bampasidis, G.

2012-10-01

We will report the measurement of water vapor in Titan’s stratosphere (Cottini et al. 2012), using the Cassini Composite Infrared Spectrometer (CIRS, Flasar et al. 2004). CIRS senses water emissions in the far infrared spectral region near 50 microns, which we have modeled using a radiative transfer code (NEMESIS, Irwin et al. 2008). From the analysis of nadir spectra we have derived a mixing ratio of 0.14 ± 0.05 ppb at an altitude of 97 km, which corresponds to an integrated (from 0 to 600 km) surface normalized column abundance of 3.7±1.3 × 1014 molecules/cm2. In the latitude range 80°S to 30°N we see no evidence for latitudinal variations in these abundances within the error bars. Using limb observations, we obtained mixing ratios of 0.13 ± 0.04 ppb at an altitude of 115 km and 0.45 ± 0.15 ppb at an altitude of 230 km, confirming that the water abundance has a positive vertical gradient as predicted by previous photochemical models. We have also fitted our data using scaling factors of 0.1-0.6 to these photochemical model profiles, indicating that the models over-predict the water abundance in Titan’s lower stratosphere. Valeria Cottini is supported by the NASA Postdoctoral Program. References Cottini V. et al., 2012. Detection of water vapor in Titan’s atmosphere from Cassini/CIRS infrared spectra. Icarus, 220, 2, 855-862 Flasar, F.M., and 44 colleagues, 2004. Exploring the Saturn system in the thermal infrared: The Composite Infrared Spectrometer. Space Sci. Rev., 115, 169-297 Irwin, P.G.J., et al., 2008. The NEMESIS planetary atmosphere radiative transfer and retrieval tool. J. Quant. Spectrosc. Radiat. Trans., 109, 1136-1150.

A DVD Spectroscope: A Simple, High-Resolution Classroom Spectroscope

ERIC Educational Resources Information Center

Wakabayashi, Fumitaka; Hamada, Kiyohito

2006-01-01

Digital versatile disks (DVDs) have successfully made up an inexpensive but high-resolution spectroscope suitable for classroom experiments that can easily be made with common material and gives clear and fine spectra of various light sources and colored material. The observed spectra can be photographed with a digital camera, and such images can…

Imaging Plasmonic Fields with Atomic Spatiotemporal Resolution

NASA Astrophysics Data System (ADS)

Li, Jianxiong; Saydanzad, Erfan; Thumm, Uwe

2018-06-01

We propose a scheme for the reconstruction of plasmonic near fields at isolated nanoparticles from infrared-streaked extreme-ultraviolet photoemission spectra. Based on quantum-mechanically modeled spectra, we demonstrate and analyze the accurate imaging of the IR-streaking-pulse-induced transient plasmonic fields at the surface of gold nanospheres and nanoshells with subfemtosecond temporal and subnanometer spatial resolution.

A search for inversion layers in hot Jupiters with high-resolution spectroscopy

NASA Astrophysics Data System (ADS)

Hood, Callie; Birkby, Jayne; Lopez-Morales, Mercedes

2017-01-01

At present, the existence of thermal inversion layers in hot Jupiter atmospheres is uncertain due to conflicting results on their detection. However, understanding the thermal structure of exoplanet atmospheres is crucial to measuring their chemical compositions because the two quantities are highly interdependent. Here, we present high-resolution infrared spectroscopy of a hot Jupiter taken at 3.5 μm with CRIRES (R~100,000) on the Very Large Telescope. We directly detect the spectrum of the planet by tracing the radial-velocity shift of water features in its atmosphere during approximately one tenth of its orbit. We removed telluric contamination effects and the lines of the host star from our observed combined light spectra using singular value decomposition, then cross-correlated these processed spectra with a grid of high spectral resolution molecular templates containing features from water, methane, and carbon dioxide. The templates included atmospheric profiles with and without thermal inversion i.e. emission and absorption lines, respectively. We find evidence of water emission features in the planet’s dayside spectrum at a signal-to-noise of 4.7, indicative of a thermal inversion in the planet's atmosphere within the pressures ranges probed by our observations. The direct detection of emission lines at high spectral resolution in the planet spectrum make it one of the most unambiguous detections of a thermal inversion layer in an exoplanet atmosphere to date. However, we are carrying out further data analysis to ensure the robustness of the signal. Future observations of other molecules that could cause inversion layers, e.g. titanium oxide, would provide strong additional evidence of the inversion and help further our understanding of the behavior of highly irradiated giant planet atmospheres.The SAO REU program is funded in part by the National Science Foundation REU and Department of Defense ASSURE programs under NSF Grant no. 1262851, and by the

High Sensitivity, High Angular Resolution Far-infrared Photometry from the KAO

NASA Technical Reports Server (NTRS)

Lester, D.; Harvey, P. M.; Wilking, B. A.; Joy, M.

1984-01-01

Most of the luminosity of embedded sources is reemitted in the far-infrared continuum. Measurements in the far-infrared are essential to understand the energetics of the interstellar medium, and of star formation regions in particular. Measurements from the KAO, are made in diffraction limited beams that sample a spatial scale considerably smaller than that given by IRAS. The KAO instrument technology has matured to the point that the single scan limiting flux of IRAS at 100 micro can be reached in a diffraction limited beam in a single typical KAO observing leg. The far-infrared photometer system and selections of recent observations are presented.

Does Nonlinear Modeling Play a Role in Plasmid Bioprocess Monitoring Using Fourier Transform Infrared Spectra?

PubMed

Lopes, Marta B; Calado, Cecília R C; Figueiredo, Mário A T; Bioucas-Dias, José M

2017-06-01

The monitoring of biopharmaceutical products using Fourier transform infrared (FT-IR) spectroscopy relies on calibration techniques involving the acquisition of spectra of bioprocess samples along the process. The most commonly used method for that purpose is partial least squares (PLS) regression, under the assumption that a linear model is valid. Despite being successful in the presence of small nonlinearities, linear methods may fail in the presence of strong nonlinearities. This paper studies the potential usefulness of nonlinear regression methods for predicting, from in situ near-infrared (NIR) and mid-infrared (MIR) spectra acquired in high-throughput mode, biomass and plasmid concentrations in Escherichia coli DH5-α cultures producing the plasmid model pVAX-LacZ. The linear methods PLS and ridge regression (RR) are compared with their kernel (nonlinear) versions, kPLS and kRR, as well as with the (also nonlinear) relevance vector machine (RVM) and Gaussian process regression (GPR). For the systems studied, RR provided better predictive performances compared to the remaining methods. Moreover, the results point to further investigation based on larger data sets whenever differences in predictive accuracy between a linear method and its kernelized version could not be found. The use of nonlinear methods, however, shall be judged regarding the additional computational cost required to tune their additional parameters, especially when the less computationally demanding linear methods herein studied are able to successfully monitor the variables under study.

High-resolution satellite and airborne thermal infrared imaging of precursory unrest and 2009 eruption of Redoubt Volcano, Alaska

USGS Publications Warehouse

Wessels, Rick L.; Vaughan, R. Greg; Patrick, Matthew R.; Coombs, Michelle L.

2013-01-01

A combination of satellite and airborne high-resolution visible and thermal infrared (TIR) image data detected and measured changes at Redoubt Volcano during the 2008–2009 unrest and eruption. The TIR sensors detected persistent elevated temperatures at summit ice-melt holes as seismicity and gas emissions increased in late 2008 to March 2009. A phreatic explosion on 15 March was followed by more than 19 magmatic explosive events from 23 March to 4 April that produced high-altitude ash clouds and large lahars. Two (or three) lava domes extruded and were destroyed between 23 March and 4 April. After 4 April, the eruption extruded a large lava dome that continued to grow until at least early July 2009.

Detecting aircraft with a low-resolution infrared sensor.

PubMed

Jakubowicz, Jérémie; Lefebvre, Sidonie; Maire, Florian; Moulines, Eric

2012-06-01

Existing computer simulations of aircraft infrared signature (IRS) do not account for dispersion induced by uncertainty on input data, such as aircraft aspect angles and meteorological conditions. As a result, they are of little use to estimate the detection performance of IR optronic systems; in this case, the scenario encompasses a lot of possible situations that must be indeed addressed, but cannot be singly simulated. In this paper, we focus on low-resolution infrared sensors and we propose a methodological approach for predicting simulated IRS dispersion of poorly known aircraft and performing aircraft detection on the resulting set of low-resolution infrared images. It is based on a sensitivity analysis, which identifies inputs that have negligible influence on the computed IRS and can be set at a constant value, on a quasi-Monte Carlo survey of the code output dispersion, and on a new detection test taking advantage of level sets estimation. This method is illustrated in a typical scenario, i.e., a daylight air-to-ground full-frontal attack by a generic combat aircraft flying at low altitude, over a database of 90,000 simulated aircraft images. Assuming a white noise or a fractional Brownian background model, detection performances are very promising.

Infrared diffuse interstellar bands

NASA Astrophysics Data System (ADS)

Galazutdinov, G. A.; Lee, Jae-Joon; Han, Inwoo; Lee, Byeong-Cheol; Valyavin, G.; Krełowski, J.

2017-05-01

We present high-resolution (R ˜ 45 000) profiles of 14 diffuse interstellar bands in the ˜1.45 to ˜2.45 μm range based on spectra obtained with the Immersion Grating INfrared Spectrograph at the McDonald Observatory. The revised list of diffuse bands with accurately estimated rest wavelengths includes six new features. The diffuse band at 15 268.2 Å demonstrates a very symmetric profile shape and thus can serve as a reference for finding the 'interstellar correction' to the rest wavelength frame in the H range, which suffers from a lack of known atomic/molecular lines.

Novel high-resolution VGA QWIP detector

NASA Astrophysics Data System (ADS)

Kataria, H.; Asplund, C.; Lindberg, A.; Smuk, S.; Alverbro, J.; Evans, D.; Sehlin, S.; Becanovic, S.; Tinghag, P.; Höglund, L.; Sjöström, F.; Costard, E.

2017-02-01

Continuing with its legacy of producing high performance infrared detectors, IRnova introduces its high resolution LWIR IDDCA (Integrated Detector Dewar Cooler assembly) based on QWIP (quantum well infrared photodetector) technology. The Focal Plane Array (FPA) has 640×512 pixels, with small (15μm) pixel pitch, and is based on the FLIRIndigo ISC0403 Readout Integrated Circuit (ROIC). The QWIP epitaxial structures are grown by metal-organic vapor phase epitaxy (MOVPE) at IRnova. Detector stability and response uniformity inherent to III/V based material will be demonstrated in terms of high performing detectors. Results showing low NETD at high frame rate will be presented. This makes it one of the first 15μm pitch QWIP based LWIR IDDCA commercially available on the market. High operability and stability of our other QWIP based products will also be shared.

Enhanced High Resolution RBS System

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

Pollock, Thomas J.; Hass, James A.; Klody, George M.

2011-06-01

Improvements in full spectrum resolution with the second NEC high resolution RBS system are summarized. Results for 50 A ring TiN/HfO films on Si yielding energy resolution on the order of 1 keV are also presented. Detector enhancements include improved pulse processing electronics, upgraded shielding for the MCP/RAE detector, and reduced noise generated from pumping. Energy resolution measurements on spectra front edge coupled with calculations using 0.4mStr solid angle show that beam energy spread at 400 KeV from the Pelletron registered accelerator is less than 100 eV. To improve user throughput, magnet control has been added to the automatic datamore » collection. Depth profiles derived from experimental data are discussed. For the thin films profiled, depth resolutions were on the Angstrom level with the non-linear energy/channel conversions ranging from 100 to 200 eV.« less