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Sample records for quadrupole resonance nqr

  1. Explosives detection by nuclear quadrupole resonance (NQR)

    NASA Astrophysics Data System (ADS)

    Garroway, Allen N.; Buess, Michael L.; Yesinowski, James P.; Miller, Joel B.; Krauss, Ronald A.

    1994-10-01

    Pure nuclear quadrupole resonance (NQR) of 14N nuclei is quite promising as a method for detecting explosives such as RDX and contraband narcotics such as cocaine and heroin in quantities of interest. Pure NQR is conducted without an external applied magnetic field, so potential concerns about damage to magnetically encoded data or exposure of personnel to large magnetic fields are not relevant. Because NQR frequencies of different compounds are quite distinct, we do not encounter false alarms from the NQR signals of other benign materials. We have constructed a laboratory prototype NQR explosives detector which interrogates a volume of 300 liters (10 ft3). This paper presents abbreviated results from a demonstration of the laboratory prototype NQR explosives detector conducted at the Federal Aviation Administration Technical Center in May 1994 on RDX-based explosives.

  2. Frequency selective detection of nuclear quadrupole resonance (NQR) spin echoes

    NASA Astrophysics Data System (ADS)

    Somasundaram, Samuel D.; Jakobsson, Andreas; Smith, John A. S.; Althoefer, Kaspar A.

    2006-05-01

    Nuclear Quadrupole Resonance (NQR) is a radio frequency (RF) technique that can be used to detect the presence of quadrupolar nuclei, such as the 14N nucleus prevalent in many explosives and narcotics. The technique has been hampered by low signal-to-noise ratios and is further aggravated by the presence of RF interference (RFI). To ensure accurate detection, proposed detectors should exploit the rich form of the NQR signal. Furthermore, the detectors should also be robust to any remaining residual interference, left after suitable RFI mitigation has been employed. In this paper, we propose a new NQR data model, particularly for the realistic case where multiple pulse sequences are used to generate trains of spin echoes. Furthermore, we refine two recently proposed approximative maximum likelihood (AML) detectors, enabling the algorithm to optimally exploit the data model of the entire echo train and also incorporate knowledge of the temperature dependent spin-echo decay time. The AML-based detectors ensure accurate detection and robustness against residual RFI, even when the temperature of the sample is not precisely known, by exploiting the dependencies of the NQR resonant lines on temperature. Further robustness against residual interference is gained as the proposed detector is frequency selective; exploiting only those regions of the spectrum where the NQR signal is expected. Extensive numerical evaluations based on both simulated and measured NQR data indicate that the proposed Frequency selective Echo Train AML (FETAML) detector offers a significant improvement as compared to other existing detectors.

  3. Enhancing nuclear quadrupole resonance (NQR) signature detection leveraging interference suppression algorithms

    NASA Astrophysics Data System (ADS)

    DeBardelaben, James A.; Miller, Jeremy K.; Myrick, Wilbur L.; Miller, Joel B.; Gilbreath, G. Charmaine; Bajramaj, Blerta

    2012-06-01

    Nuclear quadrupole resonance (NQR) is a radio frequency (RF) magnetic spectroscopic technique that has been shown to detect and identify a wide range of explosive materials containing quadrupolar nuclei. The NQR response signal provides a unique signature of the material of interest. The signal is, however, very weak and can be masked by non-stationary RF interference (RFI) and thermal noise, limiting detection distance. In this paper, we investigate the bounds on the NQR detection range for ammonium nitrate. We leverage a low-cost RFI data acquisition system composed of inexpensive B-field sensing and commercial-off-the-shelf (COTS) software-defined radios (SDR). Using collected data as RFI reference signals, we apply adaptive filtering algorithms to mitigate RFI and enable NQR detection techniques to approach theoretical range bounds in tactical environments.

  4. Nuclear quadrupole resonance detection of explosives: an overview

    NASA Astrophysics Data System (ADS)

    Miller, Joel B.

    2011-06-01

    Nuclear Quadrupole Resonance (NQR) is a spectroscopic technique closely related to Nuclear Magnetic Resonance (NMR) and Magnetic Resonance Imaging (MRI). These techniques, and NQR in particular, induce signals from the material being interrogated that are very specific to the chemical and physical structure of the material, but are relatively insensitive to the physical form of the material. NQR explosives detection exploits this specificity to detect explosive materials, in contrast to other well known techniques that are designed to detect explosive devices. The past two decades have seen a large research and development effort in NQR explosives detection in the United States aimed at transportation security and military applications. Here, I will briefly describe the physical basis for NQR before discussing NQR developments over the past decade, with particular emphasis on landmine detection and the use of NQR in combating IED's. Potential future directions for NQR research and development are discussed.

  5. INSTRUMENTS AND METHODS OF INVESTIGATION: New technologies: nuclear quadrupole resonance as an explosive and narcotic detection technique

    NASA Astrophysics Data System (ADS)

    Grechishkin, Vadim S.; Sinyavskii, Nikolai Ya

    1997-04-01

    Possibilities of detecting nuclear quadrupole resonance (NQR) signals in explosives and drugs are considered. Direct and indirect NQR techniques for searching substances are described and the potentialities of various experimental methods are compared.

  6. Polarization enhanced Nuclear Quadrupole Resonance with an atomic magnetometer

    NASA Astrophysics Data System (ADS)

    Malone, Michael W.; Barrall, Geoffrey A.; Espy, Michelle A.; Monti, Mark C.; Alexson, Dimitri A.; Okamitsu, Jeffrey K.

    2016-05-01

    Nuclear Quadrupole Resonance (NQR) has been demonstrated for the detection of 14-N in explosive compounds. Application of a material specific radio-frequency (RF) pulse excites a response typically detected with a wire- wound antenna. NQR is non-contact and material specific, however fields produced by NQR are typically very weak, making demonstration of practical utility challenging. For certain materials, the NQR signal can be increased by transferring polarization from hydrogen nuclei to nitrogen nuclei using external magnetic fields. This polarization enhancement (PE) can enhance the NQR signal by an order of magnitude or more. Atomic magnetometers (AM) have been shown to improve detection sensitivity beyond a conventional antenna by a similar amount. AM sensors are immune to piezo-electric effects that hamper conventional NQR, and can be combined to form a gradiometer for effective RF noise cancellation. In principle, combining polarization enhancement with atomic magnetometer detection should yield improvement in signal-to-noise ratio that is the product of the two methods, 100-fold or more over conventional NQR. However both methods are even more exotic than traditional NQR, and have never been combined due to challenges in operating a large magnetic field and ultra-sensitive magnetic field sensor in proximity. Here we present NQR with and without PE with an atomic magnetometer, demonstrating signal enhancement greater than 20-fold for ammonium nitrate. We also demonstrate PE for PETN using a traditional coil for detection with an enhancement factor of 10. Experimental methods and future applications are discussed.

  7. Methyl quantum tunneling and nitrogen-14 NQR NMR studies using a SQUID magnetic resonance spectrometer

    SciTech Connect

    Black, B.E. |

    1993-07-01

    Nuclear Magnetic Resonance (NMR) and Nuclear Quadrupole Resonance (NQR) techniques have been very successful in obtaining molecular conformation and dynamics information. Unfortunately, standard NMR and NQR spectrometers are unable to adequately detect resonances below a few megahertz due to the frequency dependent sensitivity of their Faraday coil detectors. For this reason a new spectrometer with a dc SQUID (Superconducting Quantum Interference Device) detector, which has no such frequency dependence, has been developed. Previously, this spectrometer was used to observe {sup 11}B and {sup 27}Al NQR resonances. The scope of this study was increased to include {sup 23}Na, {sup 51}V, and {sup 55}Mn NQR transitions. Also, a technique was presented to observe {sup 14}N NQR resonances through cross relaxation of the nitrogen polarization to adjacent proton spins. When the proton Zeeman splitting matches one nitrogen quadrupoler transition the remaining two {sup 14}N transitions can be detected by sweeping a saturating rf field through resonance. Additionally, simultaneous excitation of two nitrogen resonances provides signal enhancement which helps to connect transitions from the same site. In this way, nitrogen-14 resonances were observed in several amino acids and polypeptides. This spectrometer has also been useful in the direct detection of methyl quantum tunneling splittings at 4.2 K. Tunneling, frequencies of a homologous series of carboxylic acids were measured and for solids with equivalent crystal structures, an exponential correlation between the tunneling frequency and the enthalpy of fusion is observed. This correlation provides information about the contribution of intermolecular interactions to the energy barrier for methyl rotation.

  8. Nuclear quadrupole resonance single-pulse echoes.

    PubMed

    Prescott, David W; Miller, Joel B; Tourigny, Chris; Sauer, Karen L

    2008-09-01

    We report the first detection of a spin echo after excitation of a powder sample by a single pulse at the resonance frequency during nuclear quadrupole resonance (NQR). These echoes can occur in samples that have an inhomogeneously broadened line, in this case due to the distribution of electric field gradients. The echoes are easily detectable when the Rabi frequency approaches the linewidth and the average effective tipping angle is close to 270 degrees. When limited by a weak radio-frequency field, the single-pulse echo can be used to increase the signal to noise ratio over conventional techniques. These effects can be used to optimize the NQR detection of contraband containing quadrupole nuclei and they are demonstrated with glycine hemihydrochloride and hexhydro-1,3,5-trinitro-1,3,5-triazine (RDX). PMID:18571445

  9. Nuclear magnetic and quadrupole resonance studies of the stripes materials

    NASA Astrophysics Data System (ADS)

    Grafe, H.-J.

    2012-11-01

    Nuclear Magnetic and Quadrupole Resonance (NMR/NQR) is a powerful tool to probe electronic inhomogeneities in correlated electron systems. Its local character allows for probing different environments due to spin density modulations or inhomogeneous doping distributions emerging from the correlations in these systems. In fact, NMR/NQR is not only sensitive to magnetic properties through interaction of the nuclear spin, but also allows to probe the symmetry of the charge distribution and its homogeneity, as well as structural modulations, through sensitivity to the electric field gradient (EFG). We review the results of NMR and NQR in the cuprates from intrinsic spatial variations of the hole concentration in the normal state to stripe order at low temperatures, thereby keeping in mind the influence of doping induced disorder and inhomogeneities. Finally, we briefly discuss NQR evidence for local electronic inhomogeneities in the recently discovered iron pnictides, suggesting that electronic inhomogeneities are a common feature of correlated electron systems.

  10. Authentication of Medicines Using Nuclear Quadrupole Resonance Spectroscopy.

    PubMed

    Chen, Cheng; Zhang, Fengchao; Barras, Jamie; Althoefer, Kaspar; Bhunia, Swarup; Mandal, Soumyajit

    2016-01-01

    The production and sale of counterfeit and substandard pharmaceutical products, such as essential medicines, is an important global public health problem. We describe a chemometric passport-based approach to improve the security of the pharmaceutical supply chain. Our method is based on applying nuclear quadrupole resonance (NQR) spectroscopy to authenticate the contents of medicine packets. NQR is a non-invasive, non-destructive, and quantitative radio frequency (RF) spectroscopic technique. It is sensitive to subtle features of the solid-state chemical environment and thus generates unique chemical fingerprints that are intrinsically difficult to replicate. We describe several advanced NQR techniques, including two-dimensional measurements, polarization enhancement, and spin density imaging, that further improve the security of our authentication approach. We also present experimental results that confirm the specificity and sensitivity of NQR and its ability to detect counterfeit medicines. PMID:26841409

  11. Detecting body cavity bombs with nuclear quadrupole resonance

    NASA Astrophysics Data System (ADS)

    Collins, Michael London

    Nuclear Quadrupole Resonance (NQR) is a technology with great potential for detecting hidden explosives. Past NQR research has studied the detection of land mines and bombs concealed within luggage and packages. This thesis focuses on an NQR application that has received less attention and little or no publicly available research: detecting body cavity bombs (BCBs). BCBs include explosives that have been ingested, inserted into orifices, or surgically implanted. BCBs present a threat to aviation and secure facilities. They are extremely difficult to detect with the technology currently employed at security checkpoints. To evaluate whether or not NQR can be used to detect BCBs, a computational model is developed to assess how the dielectric properties of biological tissue affect the radio frequency magnetic field employed in NQR (0.5-5MHz). The relative permittivity of some biological tissue is very high (over 1,000 at 1MHz), making it conceivable that there is a significant effect on the electromagnetic field. To study this effect, the low-frequency approximation known as the Darwin model is employed. First, the electromagnetic field of a coil is calculated in free space. Second, a dielectric object or set of objects is introduced, and the free-space electric field is modified to accommodate the dielectric object ensuring that the relevant boundary conditions are obeyed. Finally, the magnetic field associated with the corrected electric field is calculated. This corrected magnetic field is evaluated with an NQR simulation to estimate the impact of dielectric tissue on NQR measurements. The effect of dielectric tissue is shown to be small, thus obviating a potential barrier to BCB detection. The NQR model presented may assist those designing excitation and detection coils for NQR. Some general coil design considerations and strategies are discussed.

  12. Low-frequency nuclear quadrupole resonance with a dc SQUID

    SciTech Connect

    Chang, J.W.

    1991-07-01

    Conventional pure nuclear quadrupole resonance (NQR) is a technique well suited for the study of very large quadrupolar interactions. Numerous nuclear magnetic resonance (NMR) techniques have been developed for the study of smaller quadrupolar interactions. However, there are many nuclei which have quadrupolar interactions of intermediate strength. Quadrupolar interactions in this region have traditionally been difficult or unfeasible to detect. This work describes the development and application of a SQUID NQR technique which is capable of measuring intermediate strength quadrupolar interactions, in the range of a few hundred kilohertz to several megahertz. In this technique, a dc SQUID (Superconducting QUantum Interference Device) is used to monitor the longitudinal sample magnetization, as opposed to the transverse magnetization, as a rf field is swept in frequency. This allows the detection of low-frequency nuclear quadrupole resonances over a very wide frequency range with high sensitivity. The theory of this NQR technique is discussed and a description of the dc SQUID system is given. In the following chapters, the spectrometer is discussed along with its application to the study of samples containing half-odd-integer spin quadrupolar nuclei, in particular boron-11 and aluminum-27. The feasibility of applying this NQR technique in the study of samples containing integer spin nuclei is discussed in the last chapter. 140 refs., 46 figs., 6 tabs.

  13. Nuclear quadrupole resonance lineshape analysis for different motional models: Stochastic Liouville approach

    NASA Astrophysics Data System (ADS)

    Kruk, D.; Earle, K. A.; Mielczarek, A.; Kubica, A.; Milewska, A.; Moscicki, J.

    2011-12-01

    A general theory of lineshapes in nuclear quadrupole resonance (NQR), based on the stochastic Liouville equation, is presented. The description is valid for arbitrary motional conditions (particularly beyond the valid range of perturbation approaches) and interaction strengths. It can be applied to the computation of NQR spectra for any spin quantum number and for any applied magnetic field. The treatment presented here is an adaptation of the "Swedish slow motion theory," [T. Nilsson and J. Kowalewski, J. Magn. Reson. 146, 345 (2000), 10.1006/jmre.2000.2125] originally formulated for paramagnetic systems, to NQR spectral analysis. The description is formulated for simple (Brownian) diffusion, free diffusion, and jump diffusion models. The two latter models account for molecular cooperativity effects in dense systems (such as liquids of high viscosity or molecular glasses). The sensitivity of NQR slow motion spectra to the mechanism of the motional processes modulating the nuclear quadrupole interaction is discussed.

  14. Narcotics and explosives detection by 14N pure nuclear quadrupole resonance

    NASA Astrophysics Data System (ADS)

    Garroway, Allen N.; Buess, Michael L.; Yesinowski, James P.; Miller, Joel B.

    1994-03-01

    Pure nuclear quadrupole resonance (NQR) of 14N nuclei is quite promising as a method for detecting explosives such as RDX and contraband narcotics such as cocaine and heroin in quantities of interest. Pure NQR is conducted without an external applied magnetic field, so potential concerns about damage to magnetically encoded data or exposure of personnel to large magnetic fields are not relevant. Because NQR frequencies of different compounds are quite distinct, we do not encounter false alarms from the NQR signals of other benign materials. We have constructed a proof-of-concept NQR explosives detector which interrogates a volume of 300 liters (10 ft3). With minimal modification to the existing explosives detector, we can detect operationally relevant quantities of (free base) cocaine within the 300-liter inspection volume in 6 seconds. We are presently extending this approach to the detection of heroin base and also examining 14N and 35,37Cl pure NQR for detection of the hydrochloride forms of both materials. An adaptation of this NQR approach may be suitable for scanning personnel for externally carried contraband and explosives. We first outline the basics of the NQR approach, highlighting strengths and weaknesses, and then present representative results for RDX and cocaine detection. We also present a partial compendium of relevant NQR parameters measured for some materials of interest.

  15. Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

    NASA Astrophysics Data System (ADS)

    Cho, Herman

    2016-09-01

    Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3 / 2 , 5 / 2 , 7 / 2, and 9 / 2. These results are essential to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Applications of NQR methods to studies of electronic structure in heavy element systems are proposed.

  16. Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

    DOE PAGESBeta

    Cho, Herman

    2016-02-28

    Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3/2,5/2,7/2, and 9/2. These results are essential to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Furthermore, applications of NQR methods to studies of electronic structure in heavy element systems are proposed.

  17. The application of frequency swept pulses for the acquisition of nuclear quadrupole resonance spectra

    NASA Astrophysics Data System (ADS)

    Rossini, Aaron J.; Hamaed, Hiyam; Schurko, Robert W.

    2010-09-01

    The acquisition of nuclear quadrupole resonance (NQR) spectra with wideband uniform rate and smooth truncation (WURST) pulses is investigated. 75As and 35Cl NQR spectra acquired with the WURST echo sequence are compared to those acquired with standard Hahn-echo sequences and echo sequences which employ composite refocusing pulses. The utility of WURST pulses for locating NQR resonances of unknown frequency is investigated by monitoring the integrated intensity and signal to noise of 35Cl and 75As NQR spectra acquired with transmitter offsets of several hundreds kilohertz from the resonance frequencies. The WURST echo sequence is demonstrated to possess superior excitation bandwidths in comparison to the pulse sequences which employ conventional monochromatic rectangular pulses. The superior excitation bandwidths of the WURST pulses allows for differences in the characteristic impedance of the receiving and excitation circuits of the spectrometer to be detected. Impedance mismatches have previously been reported by Marion and Desvaux [D.J.Y. Marion, H. Desvaux, J. Magn. Reson. (2008) 193(1) 153-157] and Muller et al. [M. Nausner, J. Schlagnitweit, V. Smrecki, X. Yang, A. Jerschow, N. Muller, J. Magn. Reson. (2009) 198(1) 73-79]. In this regard, WURST pulse sequences may afford an efficient new method for experimentally detecting impedance mismatches between receiving and excitation circuits, allowing for the optimization of solids and solution NMR and NQR spectrometer systems. The use of the Carr-Purcell Meiboom-Gill (CPMG) pulse sequence for signal enhancement of NQR spectra acquired with WURST pulses and conventional pulses is also investigated. Finally, the utility of WURST pulses for the acquisition of wideline NQR spectra is demonstrated by acquiring part of the 63/65Cu NQR spectrum of CuCN.

  18. Investigation of Wavelet-Based Enhancements to Nuclear Quadrupole Resonance Explosives Detectors

    SciTech Connect

    Kercel, Stephen W.; Dress, William B.; Hibbs, Andrew D.; Barrall, Geoffrey A.

    1998-06-01

    Nuclear Quadrupole Resonance (NQR) is effective for the detection and identification of certain types of explosives such as RDX, PETN and TNT. In explosive detection, the NQR response of certain 14N nuclei present in the crystalline material is probed. The 14N nuclei possess a nuclear quadrupole moment which in the presence of an electric field gradient produces an energy level splitting which may be excited by radio-frequency magnetic fields. Pulsing on the sample with a radio signal of the appropriate frequency produces a transient NQR response which may then be detected. Since the resonant frequency is dependent upon both the quadrupole moment of the 14N nucleus and the nature of the local electric field gradients, it is very compound specific. Under DARPA sponsorship, the authors are using multiresolution methods to investigate the enhancement of operation of NQR explosives detectors used for land mine detection. For this application, NQR processing time must be reduced to less than one second. False alarm responses due to acoustic and piezoelectric ringing must be suppressed. Also, as TNT is the most prevalent explosive found in land mines, NQR detection of TNT must be made practical despite unfavorable relaxation tunes. All three issues require improvement in signal-to-noise ratio, and all would benefit from improved feature extraction. This paper reports some of the insights provided by multiresolution methods that can be used to obtain these improvements. It includes results of multiresolution analysis of experimentally observed NQR signatures for RDX responses and various false alarm signatures in the absence of explosive compounds.

  19. Nuclear magnetic and quadrupole resonance in metallic powders in the presence of strong quadrupole interaction: Rhenium metal

    SciTech Connect

    Dimitropoulos, C.; Maglione, M.; Borsa, F.

    1988-03-01

    The nuclear-magnetic-resonance and nuclear-quadrupole-resonance (NQR-NMR) spectra of /sup 187/Re and /sup 185/Re in a powder of rhenium metal were measured in the temperature range 5--10 K both in zero field and with an external magnetic field. The zero-field NQR spectrum is severely broadened by a nonuniform distribution of quadrupole interactions. The average quadrupole coupling frequencies measured at 5 K are, for the two isotopes, ..nu../sub Q/ = 39 +- 0.2 MHz (/sup 187/Re) and ..nu../sub Q/ = 40.8 +- 0.3 MHz (/sup 185/Re). The spectra obtained in the presence of an external magnetic field can be interpreted satisfactorily in terms of transitions among the eigenstates of the full Hamiltonian (Zeeman plus quadrupolar). Measurements of relaxation rates yield T/sub 1/T = 0.03 sK, indicating a relaxation mechanism driven by the hyperfine interaction with the conduction electrons. The feasibility of NQR-NMR studies in small metal particles in the presence of strong inhomogeneous quadrupole interactions is assessed

  20. Nanoscale NMR and NQR with Nitrogen Vacancy Centers

    NASA Astrophysics Data System (ADS)

    Urbach, Elana; Lovchinsky, Igor; Sanchez-Yamagishi, Javier; Choi, Soonwon; Bylinskii, Alexei; Dwyer, Bo; Andersen, Trond; Sushkov, Alex; Park, Hongkun; Lukin, Mikhail

    2016-05-01

    Nuclear quadrupole resonance (NQR) is a powerful tool which is used to detect quadrupolar interaction in nuclear spins with I > 1/2. Conventional NQR and NMR technology, however, rely on measuring magnetic fields from a macroscopic number of spins. Extending NMR and NQR techniques to the nanoscale could allow us to learn structural information about interesting materials and biomolecules. We present recent progress on using Nitrogen-Vacancy (NV) centers in diamond to perform room temperature nanoscale NMR and NQR spectroscopy on small numbers of nuclear spins in hexagonal boron nitride.

  1. Nuclear Quadrupole Resonance Studies of Charge Distributions in Molecular Solids.

    NASA Astrophysics Data System (ADS)

    Greenbaum, Steven Garry

    A detailed description of an NMR-NQR double resonance spectrometer designed and constructed in this laboratory is given, including some instruction on its use. ('14)N NQR data obtained by pulse methods for six classes of nitrogen-containing compounds are presented and analyzed in the framework of the Townes and Dailey theory. A study of the anti-cancer drugs cyclophosphamide, isophosphamide and triphosphamide suggests the existence of a correlation between the substance's chemotherapeutic efficacy and the (pi) - (sigma)(,NP) charge density at the trigonal nitrogen. Satisfactory correlations of the NQR spectra of 22 monosubstituted anilines with both the Hammett (sigma) parameters and the in vitro biological activities of the corresponding sulfanilamides have been found, indicating that the nitrogen lone-pair orbital is more sensitive than the nitrogen-carbon sigma orbital is to substituent effects. NQR spectra of several N-acetyl amino acids and related compounds are reported. The inductive effect of the chloroacetyl group on the nitrogen is discussed. A positive correlation between the (pi) - (sigma)(,NC) electron density at the nitrogen and the Taft inductive parameter (sigma)* is observed, suggesting that the nitrogen (pi) -charge density in the N-acetyl amino acids does not vary appreciably. Both ('14)N and ('35)Cl NQR data have been obtained for a series of compounds containing nitrogen directly bonded to chlorine. The existence of a linear correlation between the ('14)N and ('35)Cl quadrupole coupling constants is interpreted in terms of a simple model dealing with charge excesses and deficiencies at the respective nuclei. A study of two complexes of 4-aminopyridine (4AP) addresses the loss of pyridine nitrogen lone-pair charge upon formation of the strong and asymmetric N-H-N bond characteristic of these complexes. Evidence of hydrogen bonding interactions involving the amino nitrogens is found to be in agreement with a published neutron diffraction study

  2. (14) N nuclear quadrupole resonance study of piroxicam: confirmation of new polymorphic form V.

    PubMed

    Lavrič, Zoran; Pirnat, Janez; Lužnik, Janko; Puc, Uroš; Trontelj, Zvonko; Srčič, Stane

    2015-06-01

    A new polymorphic crystal form of piroxicam was discovered while preparing crystalline samples of piroxicam for (14) N nuclear quadrupole resonance (NQR) analysis. The new crystal form, designated as V, was prepared by evaporative recrystallization from dichloromethane. Three known polymorphic forms (I, II, and III) were also prepared. Our aim was to apply (14) N NQR to characterize the new polymorphic form of piroxicam and compare the results with those of the other known polymorphic forms. Additional analytical methods used for characterization were X-ray powder diffraction (XRPD), thermal analysis, and vibrational spectroscopy. For the first time, a complete set of nine characteristic (14) N NQR frequencies was found for each prepared polymorph of piroxicam. The consistent set of measured frequencies and calculated characteristic quadrupole parameters found for the new polymorphic form V is a convincing evidence that we are dealing with a new form. The already known piroxicam polymorphic forms were characterized similarly. The XRPD results were in accordance with the conclusions of (14) N NQR analysis. The performed study clearly demonstrates a strong potential of (14) N NQR method to be applied as a highly discriminative spectroscopic analytical tool to characterize polymorphic forms. PMID:25776345

  3. Quadrupole Induced Resonant Particle Transport

    NASA Astrophysics Data System (ADS)

    Gilson, Erik; Fajans, Joel

    1999-11-01

    We have performed experiments that explore the effects of a magnetic quadrupole field on a pure electron plasma confined in a Malmberg-Penning trap. A model that we have developed describes the shape of the plasma and shows that a certain class of resonant particles follows trajectories that take them out of the plasma. Even though the quadrupole field destroys the cylindrical symmetry of the system, our theory predicts that if the electrons are off resonance, then the lifetime of the plasma will not be greatly affected by the quadrupole field. Our preliminary experimental results show that the shape of the plasma and the plasma lifetime agree with our model. We are investigating the scaling of this behavior with various experimental parameters such as the plasma length, density, and strength of the quadrupole field. In addition to being an example of resonant particle transport, this effect may find practical applications in experiments that plan to use magnetic quadrupole neutral atom traps to confine anti-hydrogen created in double-well positron/anti-proton Malmberg-Penning traps. (ATHENA Collaboration.)

  4. Quadrupole Induced Resonant Particle Transport

    NASA Astrophysics Data System (ADS)

    Gilson, Erik; Fajans, Joel

    1998-11-01

    We have performed experiments that explore the effects of a magnetic quadrupole field on a pure electron plasma confined in a Penning-Malmberg trap. A model that we have developed describes the shape of the plasma and shows that a certain class of resonant particles follows trajectories that take them out of the plasma. Even though the quadrupole field destroys the cylindrical symmetry of the system, our theory predicts that if the electrons are off resonance, then the lifetime of the plasma will not be greatly affected by the quadrupole field. Our preliminary experimental results show that the shape of the plasma and the plasma lifetime agree with our model. We are investigating the scaling of this behavior with various experimental parameters such as the plasma length, density, and strength of the quadrupole field. In addition to being an example of resonant particle transport, this effect may find practical applications in experiments that plan to use magnetic quadrupole neutral atom traps to confine anti-hydrogen created in double-well positron/anti-proton Penning-Malmberg traps. (ATHENA Collaboration.)

  5. NQR detection of explosive simulants using RF atomic magnetometers

    NASA Astrophysics Data System (ADS)

    Monti, Mark C.; Alexson, Dimitri A.; Okamitsu, Jeffrey K.

    2016-05-01

    Nuclear Quadrupole Resonance (NQR) is a highly selective spectroscopic method that can be used to detect and identify a number of chemicals of interest to the defense, national security, and law enforcement community. In the past, there have been several documented attempts to utilize NQR to detect nitrogen bearing explosives using induction sensors to detect the NQR RF signatures. We present here our work on the NQR detection of explosive simulants using optically pumped RF atomic magnetometers. RF atomic magnetometers can provide an order of magnitude (or more) improvement in sensitivity versus induction sensors and can enable mitigation of RF interference, which has classically has been a problem for conventional NQR using induction sensors. We present the theory of operation of optically pumped RF atomic magnetometers along with the result of laboratory work on the detection of explosive simulant material. An outline of ongoing work will also be presented along with a path for a fieldable detection system.

  6. Nuclear Quadrupole Resonance Study of the Nitrogen Mustards and Local Anesthetics.

    NASA Astrophysics Data System (ADS)

    Buess, Michael Lee

    The density matrix description of pulsed nitrogen -14 nuclear quadrupole resonance (NQR) spin-echoes is presented. The parallel between this problem, when formulated in terms of the fictitious spin- 1/2 operators, and that of spin - 1/2 NMR spin-echoes in liquids is discussed along with the complications which arise in multiple-pulse NQR experiments in powders due to the random orientation of the electric field gradient tensors. The equipment and procedures involved in searching for, detecting and identifying NQR resonances using pulsed techniques are described. The ('14)N NQR spectra of several nitrogen mustard compounds in the solid state are reported and analyzed in the framework of the Townes and Dailey theory. For the aniline derivatives, a correlation exists between l -(sigma), l being the nitrogen lone-pair electron density and (sigma) the average N-C sigma bond electron density, and the enhanced Hammett sigma constant (sigma)('-). An improved correlation is obtained between l-(sigma) and (sigma)(,R)('-), which emphasizes the importance of resonance effects in determining l-(sigma). The increase of hydrolysis and alkylation rates with increasing values of l-(sigma) is in agreement with the identification of the cyclic immonium ion as the intermediate in the hydrolysis and alkylation processes of the aromatic nitrogen mustards. A possible correlation is noted between the ('35)Cl NQR spectra for some of the mustards and measures of toxic and antitumor activity. ('14)N NQR spectra for several local anesthetics in the solid state are also reported and analyzed using the Townes and Dailey approach. The changes in the electron distributions at various nitrogen sites, produced by protonating the tertiary amino nitrogen, are discussed and shown to be in general agreement with expectations bases on the increased electrophilic character of the protonated amino group.

  7. Measurement of the 14N nuclear quadrupole resonance frequencies by the solid effect

    NASA Astrophysics Data System (ADS)

    Seliger, J.; Žagar, V.

    2008-07-01

    1H- 14N nuclear quadrupole double resonance using magnetic field cycling between high and low magnetic field and solid effect in the low magnetic field is analyzed in details. The transition probabilities per unit time for the solid-effect transitions are calculated. The double resonance spectra are calculated in the limiting cases of fast and slow nitrogen spin-lattice relaxation. The double resonance spectra are measured in histamine and quinolinic acid. The experimental spectra are analyzed and the 14N NQR frequencies are determined.

  8. An analytical method for estimating the {sup 14}N nuclear quadrupole resonance parameters of organic compounds with complex free induction decays for radiation effects studies

    SciTech Connect

    Iselin, L.H.

    1992-12-31

    The use of {sup 14}N nuclear quadrupole resonance (NQR) as a radiation dosimetry tool has only recently been explored. An analytical method for analyzing {sup 14}N NQR complex free induction decays is presented with the background necessary to conduct pulsed NQR experiments. The {sup 14}N NQR energy levels and possible transitions are derived in step-by-step detail. The components of a pulsed NQR spectrometer are discussed along with the experimental techniques for conducting radiation effects experiments using the spectrometer. Three data analysis techniques -- the power spectral density Fourier transform, state space singular value decomposition (HSVD), and nonlinear curve fitting (using the downhill simplex method of global optimization and the Levenberg-Marquart method) -- are explained. These three techniques are integrated into an analytical method which uses these numerical techniques in this order to determine the physical NQR parameters. Sample data sets of urea and guanidine sulfate data are used to demonstrate how these methods can be employed to analyze both simple and complex free induction decays. By determining baseline values for biologically significant organics, radiation effects on the NQR parameters can be studied to provide a link between current radiation dosimetry techniques and the biological effects of radiation.

  9. Quantitative 35Cl nuclear quadrupole resonance in tablets of the antidiabetic medicine Diabinese.

    PubMed

    Tate, Elizabeth; Althoefer, Kaspar; Barras, Jamie; Rowe, Michael D; Smith, John A S; Pearce, Gareth E S; Wren, Stephen A C

    2009-07-01

    Pulsed (35)Cl nuclear quadrupole resonance (NQR) experiments have been performed on 250-mg tablets of the antidiabetic medicine Diabinese to establish the conditions needed for noninvasive quantitative analysis of the medicine in standard bottles. One important condition is the generation of a uniform radio-frequency (RF) field over the sample, which has been achieved by two designs of sample coil: one of variable pitch, and the other a resonator that has been fabricated from a single turn of copper sheet with a longitudinal gap bridged by tuning capacitors. The results from blind tests show that the number of tablets in a bottle could be predicted to within +/-3%. PMID:19492808

  10. NQR Characteristics of an RDX Plastic Explosives Simulant.

    PubMed

    Turecek, J; Schwitter, B; Miljak, D; Stancl, M

    2012-12-01

    For reliable detection of explosives, a combination of methods integrated within a single measurement platform may increase detection performance. However, the efficient field testing of such measurement platforms requires the use of inexplosive simulants that are detectable by a wide range of methods. Physical parameters such as simulant density, elemental composition and crystalline structure must closely match those of the target explosive. The highly discriminating bulk detection characteristics of nuclear quadrupole resonance (NQR) especially constrain simulant design. This paper describes the development of an inexplosive RDX simulant suited to a wide range of measurement methods, including NQR. Measurements are presented that confirm an RDX NQR response from the simulant. The potential use of the simulant for field testing a prototype handheld NQR-based RDX detector is analyzed. Only modest changes in prototype operation during field testing would be required to account for the use of simulant rather than real explosive. PMID:23204647

  11. Direct current superconducting quantum interference device spectrometer for pulsed nuclear magnetic resonance and nuclear quadrupole resonance at frequencies up to 5 MHz

    SciTech Connect

    TonThat, D.M.; Clarke, J. |

    1996-08-01

    A spectrometer based on a dc superconducting quantum interference device (SQUID) has been developed for the direct detection of nuclear magnetic resonance (NMR) or nuclear quadrupole resonance (NQR) at frequencies up to 5 MHz. The sample is coupled to the input coil of the niobium-based SQUID via a nonresonant superconducting circuit. The flux locked loop involves the direct offset integration technique with additional positive feedback in which the output of the SQUID is coupled directly to a low-noise preamplifier. Precession of the nuclear quadrupole spins is induced by a magnetic field pulse with the feedback circuit disabled; subsequently, flux locked operation is restored and the SQUID amplifies the signal produced by the nuclear free induction signal. The spectrometer has been used to detect {sup 27}Al NQR signals in ruby (Al{sub 2}O{sub 3}[Cr{sup 3+}]) at 359 and 714 kHz. {copyright} {ital 1996 American Institute of Physics.}

  12. Low-power stimulated emission nuclear quadrupole resonance detection system utilizing Rabi transitions

    NASA Astrophysics Data System (ADS)

    Apostolos, John; Mouyos, William; Feng, Judy; Chase, Walter

    2013-06-01

    The application of CW radar techniques to Nuclear Quadrupole Resonance (NQR) detection of nitrogen based explosives and chlorine based narcotics enables the use of low power levels, in the range of 10's of watts, to yield high signal strengths. By utilizing Rabi transitions the nucleus oscillates between states one and two under the time dependent incident electromagnetic field and alternately absorbs energy from the incident field while emitting coherent energy via stimulated emission. Through the application of a cancellation algorithm the incident field is eliminated from the NQR response, allowing the receive signal to be measured while transmitting. The response signal is processed using matched filters of the NQR response which enables the direct detection of explosives. This technology has applicability to the direct detection of explosives and narcotics for security screening, all at safe low power levels, opposed to the current XRay and Millimeter wave screening systems that detect objects that may contain explosives and utilize high power. The quantum mechanics theoretical basis for the approach and an application for a system for security screening are described with empirical results presented to show the effects observed.

  13. WURST-QCPMG sequence and "spin-lock" in 14N nuclear quadrupole resonance

    NASA Astrophysics Data System (ADS)

    Gregorovič, Alan; Apih, Tomaž

    2013-08-01

    14N nuclear quadrupole resonance (NQR) is a promising method for the analysis of pharmaceuticals or for the detection of nitrogen based illicit compounds, but so far, the technique is still not widely used, mostly due to the very low sensitivity. This problem is already acute in the preliminary NQR stage, when a compound is being examined for the first time and the NQR frequencies are being searched for, by scanning a wide frequency range step-by-step. In the present work, we experimentally show how to increase the efficiency of this initial stage by using a combination of a wideband excitation achieved with frequency swept pulses (WURST) and a "spin-lock" state obtained with a quadrupolar-CPMG (QCPMG) sequence. In the first part we show that WURST pulses provide a much larger excitation bandwidth compared to common rectangular pulses. This increased bandwidth allows to increase the frequency step and reduces the total number of steps in a scanning stage. In the second part we show that the "spin-lock" decay time T2eff obtained with the WURST-QCPMG combination is practically identical with the T2eff obtained with the most common "spin-lock" sequence, the SLSE, despite a very different nature and length of excitation pulses. This allows for a substantial S/N increase through echo averaging in every individual step and really allows to exploit all the advantages of the wider excitation in the NQR frequency scanning stage. Our experimental results were obtained on a sample of trinitrotoluene, but identical behavior is expected for all compounds where a "spin-lock" state can be created.

  14. Radio frequency quadrupole resonator for linear accelerator

    DOEpatents

    Moretti, Alfred

    1985-01-01

    An RFQ resonator for a linear accelerator having a reduced level of interfering modes and producing a quadrupole mode for focusing, bunching and accelerating beams of heavy charged particles, with the construction being characterized by four elongated resonating rods within a cylinder with the rods being alternately shorted and open electrically to the shell at common ends of the rods to provide an LC parallel resonant circuit when activated by a magnetic field transverse to the longitudinal axis.

  15. NQR studies on 2,5-dichlorophenol

    NASA Astrophysics Data System (ADS)

    Kasturi, Alapati; Venkatacharyulu, P.; Premaswarup, D.

    1990-11-01

    Nuclear quadrupole resonance (NQR) Zeeman effect studies were carried out on cylindrical single crystals of 2,5-dichlorophenol, using the two 35Cl-NQR frequencies. A self-quenched superregenerative NQR spectrometer was used, and the spectra were analysed ot obtain information on the nature of the crystalline unit cell. An analysis of the experimental data reveals that: (1) the results are in good agreement with the structural reports of Bavoux and Perrin; (2) the crystal unequivocally belongs to the monoclinic system; (3) there are two crystallographically equivalent but physically inequivalent directions for the principal field gradient axes for both the low- and high-frequency resonance lines; (4) as the number of physically inequivalent directions for each of the two resonance lines is two, the minimum number of molecules per unit cell is two; (5) the b axis (90°,90°) is identified as the symmetry axis; (6) the growth axis is slightly inclined to the c axis; (7) the asymmetry parameters obtained for the loci corresponding to the low-frequency line, which is hydrogen bonded, are greater than those for the high-frequency line, which is nonhydrogen bonded; (8) the double-bond character is greater for the hydrogen-bonded chlorine than for the non-hydrogen-bonded chlorine; (9) the ratios of the various bond characters estimated for both the low- and high-frequency resonance lines are 69:24:7 and 74:24:2.

  16. Using nitrogen-14 nuclear quadrupole resonance and electric field gradient information for the study of radiation effects

    SciTech Connect

    Iselin, L.H.

    1995-12-01

    Nitrogen-14 nuclear quadrupole resonance (NQR) was used in an attempt to detect the effects of ionizing radiation on organic material. Previously reported resonances for urea were detected at 2,913.32 {+-} 0.01 kHz and 2,347.88 {+-} 0.08 kHz with associated T{sub 2}* values 780 {+-} 20 {micro}s and 523 {+-} 24 {micro}s, respectively. The previously unreported {nu}{sub {minus}} line for urea-d{sup 4} was detected at 2,381 {+-} 0.04 Khz and used to determine accurately for the first time the values for the nuclear quadrupole coupling constant {chi} (3,548.74 {+-} 0.03 kHz) and the asymmetry parameter {eta} (0.31571 {+-} 0.00007) for urea-d{sup 4}. The inverse linewidth parameter T{sub 2}* for {nu}{sub +} was measured at 928 {+-} 23 {micro}s and for {nu}{sub {minus}} at 721 {+-} 12 {micro}s. Townes and Dailey analysis was performed and urea-d{sup 4} exhibits a 0.004 increase in lone pair electronic density and a slight decrease in N-H bond electronic density, as compared to urea, probably due to the mass difference. A relationship is proposed, referred to as NQR linewidth analysis, between the dynamic spin relaxation times T{sub 2} and T{sub 2}* and the widths of the distributions of the NQR parameters. Linewidth analysis is presented as a tool for possible use in future NQR work in all area, not just radiation effects. This relationship is tested using sodium nitrite T{sub 2} and T{sub 2}* values for {nu}{sub {minus}} and {nu}{sub {minus}} as a function of temperature.

  17. Nuclear quadrupole resonance studies in semi-metallic structures

    NASA Technical Reports Server (NTRS)

    Murty, A. N.

    1974-01-01

    Both experimental and theoretical studies are presented on spectrum analysis of nuclear quadrupole resonance of antimony and arsenic tellurides. Numerical solutions for secular equations of the quadrupole interaction energy are also discussed.

  18. Explosives detection with quadrupole resonance analysis

    NASA Astrophysics Data System (ADS)

    Rayner, Timothy J.; Thorson, Benjamin D.; Beevor, Simon; West, Rebecca; Krauss, Ronald A.

    1997-02-01

    The increase in international terrorist activity over the past decade has necessitated the exploration of new technologies for the detection of plastic explosives. Quadrupole resonance analysis (QRA) has proven effective as a technique for detecting the presence of plastic, sheet, and military explosive compounds in small quantities, and can also be used to identify narcotics such as heroin and cocaine base. QRA is similar to the widely used magnetic resonance (MR) and magnetic resonance imaging (MRI) techniques, but has the considerable advantage that the item being inspected does not need to be immersed in a steady, homogeneous magnetic field. The target compounds are conclusively identified by their unique quadrupole resonance frequencies. Quantum magnetics has develop and introduced a product line of explosives and narcotics detection devices based upon QRA technology. The work presented here concerns a multi-compound QRA detection system designed to screen checked baggage, cargo, and sacks of mail at airports and other high-security facilities. The design philosophy and performance are discussed and supported by test results from field trials conducted in the United States and the United Kingdom. This detection system represents the current state of QRA technology for field use in both commercial and government sectors.

  19. (121,123)Sb and (75)As NMR and NQR investigation of the tetrahedrite (Cu12Sb4S13)--Tennantite (Cu12As4S13) system and other metal arsenides.

    PubMed

    Bastow, T J; Lehmann-Horn, J A; Miljak, D G

    2015-10-01

    This work is motivated by the recent developments in online minerals analysis in the mining and minerals processing industry via nuclear quadrupole resonance (NQR). Here we describe a nuclear magnetic resonance (NMR) and NQR study of the minerals tennantite (Cu12As4S13) and tetrahedrite (Cu12 Sb4S13). In the first part NQR lines associated with (75)As in tennantite and (121,123)Sb isotopes in tetrahedrite are reported. The spectroscopy has been restricted to an ambient temperature studies in accord with typical industrial conditions. The second part of this contribution reports nuclear quadrupole-perturbed NMR findings on further, only partially characterised, metal arsenides. The findings enhance the detection capabilities of NQR based analysers for online measurement applications and may aid to control arsenic and antimony concentrations in metal processing stages. PMID:26453410

  20. Ferromagnetic critical behavior in U(Co1-xFex)Al (0 ≤x ≤0.02 ) studied by 59Co nuclear quadrupole resonance measurements

    NASA Astrophysics Data System (ADS)

    Karube, K.; Hattori, T.; Ishida, K.; Kimura, N.

    2015-02-01

    In order to investigate physical properties around a ferromagnetic (FM) quantum transition point and a tricritical point (TCP) in the itinerant-electron metamagnetic compound UCoAl, we have performed the 59Co nuclear quadrupole resonance (NQR) measurement for the Fe-substituted U(Co1-xFex)Al(x =0 ,0.5 ,1 ,and2 %) in zero external magnetic field. The Fe concentration dependence of 59Co -NQR spectra at low temperatures indicates that the first-order FM transition occurs at least above x =1 % . The magnetic fluctuations along the c axis detected by the nuclear spin-spin relaxation rate 1 /T2 exhibit an anomaly at Tmax˜20 K and enhance with increasing x . These results are in good agreement with theoretical predictions and indicate the presence of prominent critical fluctuations at the TCP in this system.

  1. Development of a quadrupole resonance confirmation system

    NASA Astrophysics Data System (ADS)

    Barrall, Geoffrey A.; Derby, Kevin A.; Drew, Adam J.; Ermolaev, Konstantine V.; Huo, Shouqin; Lathrop, Daniel K.; Petrov, Todor R.; Steiger, Matthew J.; Stewart, Stanley H.; Turner, Peter J.

    2004-09-01

    Quantum Magnetics has developed a Quadrupole Resonance (QR) system for the detection of anti-tank and anti-vehicle landmines. The QR confirmation sensor (QRCS) is a part of the Army GSTAMIDS Block 1 program and is designed to confirm the presence of landmines initially flagged by a primary sensor system. The ultimate goal is to significantly reduce the number of sites that require neutralization or other time consuming investigation into the presence of a landmine. Government tests in 2002 and 2003 demonstrated the performance of the system in a wide variety of conditions including high radio frequency interference (RFI) and piezo electric ringing (PER) environments. Field test results are presented along with an overall description of the system design and methods used to solve prior issues with RFI and PER.

  2. Quadrupole resonance scanner for narcotics detection

    NASA Astrophysics Data System (ADS)

    Shaw, Julian D.; Moeller, C. R.; Magnuson, Erik E.; Sheldon, Alan G.

    1994-10-01

    Interest in non-invasive, non-hazardous, bulk detection technologies for narcotics interdiction has risen over the last few years. As part of our continuing research and development programs in detection of narcotics and explosives using sensitive magnetic measuring devices, we present the first commercially available prototype Quadrupole Resonance (QR) scanner for narcotics detection. The portable narcotics detection system was designed in modular form such that a single QR base system could be easily used with a variety of custom detection heads. The QR system presented in this paper is suitable for scanning items up to 61 X 35 X 13 cm in size, and was designed to scan mail packages and briefcase-sized items for the presence of narcotics. System tests have shown that detection sensitivity is comparable that obtained in laboratory systems.

  3. Quadrupole resonance spectroscopic study of narcotic materials

    NASA Astrophysics Data System (ADS)

    Rayner, Timothy J.; West, Rebecca; Garroway, Allen N.; Lyndquist, R.; Yesinowski, James P.

    1997-02-01

    Bulk narcotic detection systems based upon Quadrupole Resonance Analysis (QRA) technology have a major advantage over imaging technologies, in that QRA is chemical-specific and consequently has a lower rate of false alarms. QRA is a magnetic resonance technology which occurs as a result of the inherent molecular properties of the atomic nuclei in crystalline and amorphous solids. The QRA response is characterized by 1) the precessional frequency of the nucleus, and 2) the nature of the electric field gradient experienced by the nucleus,due to its molecular environment. Another important detection parameter is linewidth, resonant quality. All of these parameters depend on sample purity and manufacturing process. Quantum Magnetics recently carried out a study on the QRA signatures of various narcotic materials with the support of the US Army, US Customs, and the Office of National Drug Control Policy. The aim of the study was to fully characterize the variation in QRA spectroscopic parameters of different samples of cocaine base and cocaine hydrochloride. The results from this study ar discussed here.

  4. 35Cl NQR frequency and spin lattice relaxation time in 3,4-dichlorophenol as a function of pressure and temperature.

    PubMed

    Ramu, L; Ramesh, K P; Chandramani, R

    2013-01-01

    The pressure dependences of (35)Cl nuclear quadrupole resonance (NQR) frequency, temperature and pressure variation of spin lattice relaxation time (T(1)) were investigated in 3,4-dichlorophenol. T(1) was measured in the temperature range 77-300 K. Furthermore, the NQR frequency and T(1) for these compounds were measured as a function of pressure up to 5 kbar at 300 K. The temperature dependence of the average torsional lifetimes of the molecules and the transition probabilities W(1) and W(2) for the Δm = ±1 and Δm = ±2 transitions were also obtained. A nonlinear variation of NQR frequency with pressure has been observed and the pressure coefficients were observed to be positive. A thermodynamic analysis of the data was carried out to determine the constant volume temperature coefficients of the NQR frequency. An attempt is made to compare the torsional frequencies evaluated from NQR data with those obtained by IR spectra. On selecting the appropriate mode from IR spectra, a good agreement with torsional frequency obtained from NQR data is observed. The previously mentioned approach is a good illustration of the supplementary nature of the data from IR studies, in relation to NQR studies of compounds in solid state. PMID:23161529

  5. Stand-off explosive detection utilizing low power stimulated emission nuclear quadrupole resonance detection and subwavelength focusing wideband super lens

    NASA Astrophysics Data System (ADS)

    Apostolos, John; Mouyos, William; Feng, Judy; Chase, Walter

    2015-05-01

    The need for advanced techniques to detect improvised explosive devices (IED) at stand-off distances greater than ten (10) meters has driven AMI Research and Development (AMI) to develop a solution to detect and identify the threat utilizing a forward looking Synthetic Aperture Radar (SAR) combined with our CW radar technology Nuclear Quadrupole Resonance (NQR) detection system. The novel features include a near-field sub-wavelength focusing antenna, a wide band 300 KHz to 300 MHz rapidly scanning CW radar facilitated by a high Q antenna/tuner, and an advanced processor utilizing Rabi transitions where the nucleus oscillates between states under the time dependent incident electromagnetic field and alternately absorbs energy from the incident field while emitting coherent energy via stimulated emission. AMI's Sub-wavelength Focusing Wide Band Super Lens uses a Near-Field SAR, making detection possible at distances greater than ten (10) meters. This super lens is capable of operating on the near-field and focusing electromagnetic waves to resolutions beyond the diffraction limit. When applied to the case of a vehicle approaching an explosive hazard the methodologies of synthetic aperture radar is fused with the array based super resolution and the NQR data processing detecting the explosive hazard.

  6. NQR in tert-butyl chloride

    NASA Astrophysics Data System (ADS)

    Brunetti, Aldo H.

    2004-03-01

    Tert-butyl chloride has been broadly studied experimentally through various techniques such as X-ray crystallography, DTA, and NMR. It was also studied experimentally through nuclear quadrupole resonance (NQR), but this study was limited and incomplete. In this paper, we present a more detailed study of TBC through the NQR of 35Cl. Our results show that near 120 K, the onset of the CH 3 groups semirotations around symmetry axis C3 takes place with an activation energy U=16.1 kJ mol -1. This intramolecular movement produces a T1 minimum near 148 K and is the dominant mechanism of the nuclear spin-lattice relaxation in phase III of this compound. In phase II of TBC, we show that there are not only methyl groups semirotations, but also semirotations of the whole molecule around a different axis from the symmetry axis C' 3 (C-Cl bond) with an activation energy of E=10.4 kJ mol -1.

  7. Radio-frequency quadrupole resonator for linear accelerator

    DOEpatents

    Moretti, A.

    1982-10-19

    An RFQ resonator for a linear accelerator having a reduced level of interfering modes and producing a quadrupole mode for focusing, bunching and accelerating beams of heavy charged particles, with the construction being characterized by four elongated resonating rods within a cylinder with the rods being alternately shorted and open electrically to the shell at common ends of the rods to provide an LC parallel resonant circuit when activated by a magnetic field transverse to the longitudinal axis.

  8. Nondestructive testing of adhesive bonds by nuclear quadrupole resonance method

    NASA Technical Reports Server (NTRS)

    Hewitt, R. R.

    1971-01-01

    Inert, strain sensitive tracer, cuprous oxide, added to polymeric adhesive ensures sufficiently large signal to noise ratio in NQR system output. Method is successful, provided that RF-transparent structural materials are used between modified adhesive and probe of NQR spectrometer.

  9. 63Cu NQR in copper (II) compounds

    NASA Astrophysics Data System (ADS)

    Bastow, T. J.; Campbell, I. D.; Whitfield, H. J.

    1980-01-01

    We report observations of 63Cu NQR in CuF 2, KCuF 3, and RbCuF 3 in the paramagnetic state, NQR line widths of 63Cu in CuF 2 and CuBr 2 and of 81Br in CuBr 2, SnBr 2 and ZnBr 2. The NQR resonances of certain Cu (II) paramagnetic compounds are exchange-narrowed to values commensurate with linewidths of the diamagnetic infinite-lattice compounds.

  10. 14N nuclear quadrupole resonance in carcinostatic phosphamides

    NASA Astrophysics Data System (ADS)

    Greenbaum, S. G.; Bray, P. J.

    1980-02-01

    Nitrogen-14 nuclear quadrupole resonance spectra of the anti-cancer drugs cyclophosphamide monohydrate, isonphosphamide and triphosphamide have been detected at 77 K. The electron distribution in the vicinity of the nitrogens possessing trigonal bonding configurations have been calculated in the framework of the Townes and Dailey theory.

  11. Nuclear quadrupole resonance studies of the SORC sequence and nuclear magnetic resonance studies of polymers

    SciTech Connect

    Jayakody, J.R.P.

    1993-12-31

    The behavior of induction signals during steady-state pulse irradiation in {sup 14}N NQR was investigated experimentally. Because Strong Off-resonance Comb (SORC) signals recur as long as the pulsing continues, very efficient signal-averaging can result. The dependence of these steady-state SORC signals on pulse parameters and on frequency offset are presented, together with a discussion of the applicability of the method. Also as part of the NQR work, cocaine base has been detected using conventional NQR techniques. The experimental results show that SORC detection can be of sufficient sensitivity to form the basis of narcotics screening devices for both mail and airline baggage. A new NMR technique, to obtain the correlation time of the random thermal motion of a polymer at temperatures near the glass transition has been introduced. The temperature dependence is a result of thermal motion. For slow-motion of a polymer chain near the glass transition, the CSA parameter begins to decrease. This motional narrowing can be interpreted to yield the correlation time of the thermal motion. In this work nitrocellulose isotopically highly enriched with {sup 15}N was studied at four different temperatures between 27{degrees} and 120{degrees} Celsius and the correlation times for polymer backbone motions were obtained. Naflon films containing water (D{sub 2}O and H{sub 2} {sup 17}O) and methanol (CH{sub 3}OD, CH{sub 3} {sup 17}OH), have been studied using deuteron and oxygen-17 NMR spectroscopy. Glassy behavior of the water domains at low temperature is evidenced by the specific nature of the {sup 2}H NMR lineshapes. Activation energies extracted from {sup 2}H spin-lattice relaxation data on the high temperature side of the T{sub 1} minimum exhibit a steady increase with increasing water content. In spite of a high degree of molecular mobility, angular-dependent spectra of both unstretched and stretched samples reflect considerable anisotrophy of the host polymer.

  12. Mixed-radiation-field dosimetry utilizing Nuclear Quadrupole Resonance

    SciTech Connect

    Hintenlang, D.E.; Jamil, K.; Iselin, L.H.

    1992-01-01

    Radiation effects on urea, thiourea, guanidine carbonate and guanine sulfate were evaluated for both photon and neutron irradiations. Hydration of these materials typically provides a greatly increased sensitivity to both forms of radiation exposure, although not all materials lend themselves to this treatment without changing the chemical structure of the compound. Urea was found to be the most stable hydrated compound and provides the best sensitivity for quantifying radiation effects using NQR techniques. Urea permits a straight-forward quantification of each of the important parameters of the observed NQR signal, the FID. Several advanced data analysis methods were developed to assist in quantifying NQR spectra, both from urea and materials having more complex molecular structures, such as thiourea and guanidine sulfate. Unfortunately, these analysis techniques are frequently quite time consuming for the complex NQR spectra that result from some of these materials. The simpler analysis afforded by urea has therefore made it the prime candidate for an NQR dosimetry material. The moderate sensitivity of hydrated urea to photon irradiation does not permit this material to achieve the levels of performance required for a personnel dosimeter. It does, however, demonstrate acceptable sensitivity over dose ranges where it could provide a good biological dosimeter for several areas of radiation processing. The demonstrated photon sensitivity could permit hydrated urea to be used in applications such as food irradiation dosimetry. This material also exhibits a good sensitivity to neutron irradiation. The precise correlation between neutron exposure and the parameters of the resulting NQR spectra are currently being developed.

  13. Measurement of temperature and temperature gradient in millimeter samples by chlorine NQR

    NASA Astrophysics Data System (ADS)

    Lužnik, Janko; Pirnat, Janez; Trontelj, Zvonko

    2009-09-01

    A mini-thermometer based on the 35Cl nuclear quadrupole resonance (NQR) frequency temperature dependence in the chlorates KClO3 and NaClO3 was built and successfully tested by measuring temperature and temperature gradient at 77 K and higher in about 100 mm3 active volume of a mini Joule-Thomson refrigerator. In the design of the tank-circuit coil, an array of small coils connected in series enabled us (a) to achieve a suitable ratio of inductance to capacity in the NQR spectrometer input tank circuit, (b) to use a single crystal of KClO3 or NaClO3 (of 1-2 mm3 size) in one coil as a mini-thermometer with a resolution of 0.03 K and (c) to construct a system for measuring temperature gradients when the spatial coordinates of each chlorate single crystal within an individual coil are known.

  14. Effect of a weak static magnetic field on nitrogen-14 quadrupole resonance in the case of an axially symmetric electric field gradient tensor.

    PubMed

    Guendouz, Laouès; Aissani, Sarra; Marêché, Jean-François; Retournard, Alain; Marande, Pierre-Louis; Canet, Daniel

    2013-01-01

    The application of a weak static B0 magnetic field (less than 1 mT) may produce a well-defined splitting of the (14)N Quadrupole Resonance line when the electric field gradient tensor at the nitrogen nucleus level is of axial symmetry. It is theoretically shown and experimentally confirmed that the actual splitting (when it exists) as well as the line-shape and the signal intensity depends on three factors: (i) the amplitude of B0, (ii) the amplitude and pulse duration of the radio-frequency field, B1, used for detecting the NQR signal, and (iii) the relative orientation of B0 and B1. For instance, when B0 is parallel to B1 and regardless of the B0 value, the signal intensity is three times larger than when B0 is perpendicular to B1. This point is of some importance in practice since NQR measurements are almost always performed in the earth field. Moreover, in the course of this study, it has been recognized that important pieces of information regarding line-shape are contained in data points at the beginning of the free induction decay (fid) which, in practice, are eliminated for avoiding spurious signals due to probe ringing. It has been found that these data points can generally be retrieved by linear prediction (LP) procedures. As a further LP benefit, the signal intensity loss (by about a factor of three) is regained. PMID:24183810

  15. 14N NQR investigation of some thermochromic and photochromic salicylideneanilines and related compounds

    NASA Astrophysics Data System (ADS)

    Hadjoudis, E.; Milia, F.; Seliger, J.; Zagar, V.; Blinc, R.

    1991-09-01

    The temperature dependence of the 14N NQR frequencies have been measured in a series of thermochromic and photochromic salicylideneanilines and related compounds using nuclear quadrupole double resonance. The results show that, in agreement with previous measurements, there is a fast exchange between inequivalent sites in the OH…N bond. The energy difference Δ E of the two proton sites was calculated for all the compounds and shows that it depends on their thermochromic behavior which is connected with the structure of the compounds.

  16. Nuclear Quadrupole Resonance Studies of the Sorc Sequence and Nuclear Magnetic Resonance Studies of Polymers.

    NASA Astrophysics Data System (ADS)

    Jayakody, Jayakody R. Pemadasa

    1993-01-01

    The behavior of induction signals during steady -state pulse irradiation in ^{14} N NQR was investigated experimentally. Because Strong Off-resonance Comb (SORC) signals recur as long as the pulsing continues, very efficient signal-averaging can result. The dependence of these steady-state SORC signals on pulse parameters and on frequency offset are presented, together with a discussion of the applicability of the method. Also as part of the NQR work, Cocaine base has been detected using conventional NQR techniques. The experimental results show that SORC detection can be of sufficient sensitivity to form the basis of narcotics screening devices for both mail and airline baggage. A new NMR technique, to obtain the correlation time of the random thermal motion of a polymer at temperatures near the glass transition has been introduced. The temperature dependence is a result of thermal motion. For slow-motion of a polymer chain near the glass transition, the CSA parameter begins to decrease. This motional narrowing can be interpreted to yield the correlation time of the thermal motion. In this work Nitrocellulose isotopically highly enriched with ^{15}N was studied at four different temperatures between 27^ circ and 120^circ Celsius and the correlation times for polymer backbone motions were obtained. Nafion films containing, water (D_2 O and H_2^{17}O) and methanol (CH_3OD, CH _3^{17}OH), have been studied using Deuteron and Oxygen-17 NMR spectroscopy. Glassy behavior of the water domains at low temperature is evidenced by the specific nature of the ^2H NMR lineshapes. Activation energies extracted from ^2H spin-lattice relaxation data on the high temperature side of the T_1 minimum exhibit a steady increase with increasing water content. In spite of a high degree of molecular mobility, angular-dependent spectra of both unstretched and stretched samples reflect considerable anisotropy of the host polymer. Activation volumes corresponding to a specific dynamical

  17. Advances in the engineering of quadrupole resonance landmine detection systems

    NASA Astrophysics Data System (ADS)

    Barrall, G. A.; Arakawa, M.; Barabash, L. S.; Bobroff, S.; Chepin, J. F.; Derby, K. A.; Drew, A. J.; Ermolaev, K. V.; Huo, S.; Lathrop, D. K.; Steiger, M. J.; Stewart, S. H.; Turner, P. J.

    2005-06-01

    Advances in the engineering of Quadrupole Resonance (QR) sensors for landmine detection have resulted in improved performance, as well as massive reductions in power, size and weight. The next generation of vehicle-mounted QR confirmation sensors is over an order of magnitude smaller and more power efficient than the system fielded in 2002 and 2003. Early prototypes have also demonstrated a significant improvement in TNT sensitivity, and similar improvements are anticipated in RDX sensitivity during Q1 2005. Blind test results from 2003 confirm the radio frequency interference and piezo-electric ringing immunity of the Quantum Magnetics QR Confirmation Sensor (QRCS).

  18. Kinetic approach to the damping of giant quadrupole resonances

    SciTech Connect

    Bonasera, A.; Di Toro, M.; Gulminelli, F. Dipartimento di Fisica, Corso Italia 57, 95129 Catania Dipartimento di Fisica, Via Celoria 16, 20133 Milano Laboratorio Nazionale del Sud, Viale A. Doria, 95125 Catania )

    1990-09-01

    The effect of one- and two-body dissipation on the damping of giant quadrupole resonances is studied in a semiclassic approach solving a Vlasov equation with a collisional relaxation time. The latter is microscopically evaluated from the equilibration of a distorted momentum distribution in a kinetic approach. Important effects from energy and angle dependent nucleon-nucleon ({ital NN}) cross sections and from the time variation of Pauli blocking are stressed. Once these points are suitably treated, a good agreement with the experimental systematics is obtained from the use of a free {ital NN} cross section.

  19. Nuclear quadrupole resonance studies project. [spectrometer design and spectrum analysis

    NASA Technical Reports Server (NTRS)

    Murty, A. N.

    1978-01-01

    The participation of undergraduates in nuclear quadrupole resonance research at Grambling University was made possible by NASA grants. Expanded laboratory capabilities include (1) facilities for high and low temperature generation and measurement; (2) facilities for radio frequency generation and measurement with the modern spectrum analyzers, precision frequency counters and standard signal generators; (3) vacuum and glass blowing facilities; and (4) miscellaneous electronic and machine shop facilities. Experiments carried out over a five year period are described and their results analyzed. Theoretical studies on solid state crystalline electrostatic fields, field gradients, and antishielding factors are included.

  20. Pulsed Spin Locking in Spin-1 NQR: Broadening Mechanisms

    NASA Astrophysics Data System (ADS)

    Malone, Michael W.

    Nuclear Quadrupole Resonance (NQR) is a branch of magnetic resonance physics that allows for the detection of spin I > 1/2 nuclei in crystalline and semi-crystalline materials. Through the application of a resonant radio frequency (rf) pulse, the nuclei's response is to create an oscillating magnetic moment at a frequency unique to the target substance. This creates the NQR signal, which is typically weak and rapidly decaying. The decay is due to the various line broadening mechanisms, the relative strengths of which are functions of the specific material, in addition to thermal relaxation processes. Through the application of a series of rf pulses the broadening mechanisms can be refocused, narrowing the linewidth and extending the signal in time. Three line broadening mechanisms are investigated to explain the NQR signal's linewidth and behavior. The first, electric field gradient (EFG) inhomogeneity, is due to variations in the local electric environment among the target nuclei, for instance from crystal imperfections. While EFG inhomogeneity can vary between samples of the same chemical composition and structure, the other broadening mechanisms of homonuclear and heteronuclear dipolar coupling are specific to this composition and structure. Simple analytical models are developed that explain the NQR signal response to pulse sequences by accounting for the behavior of each broadening mechanism. After a general theoretical introduction, a model of pairs of spin-1 nuclei is investigated, and the refocusing behaviors of EFG and homonuclear dipolar coupling are analyzed. This reveals the conditions where EFG is refocused but homonuclear dipolar coupling is not. In this case the resulting signal shows a rapid decay, the rate of which becomes a measure of interatomic distances. This occurs even in the more complex case of a powder sample with its many randomly oriented crystallites, under particular pulsing conditions. Many target NQR compounds are rich in hydrogen

  1. Ab initio DFT study of bisphosphonate derivatives as a drug for inhibition of cancer: NMR and NQR parameters.

    PubMed

    Aghabozorg, Hussein; Sohrabi, Beheshteh; Mashkouri, Sara; Aghabozorg, Hamid Reza

    2012-03-01

    DFT computations were carried out to characterize the (17)Oand (2)H electric field gradient, EFG, in various bisphosphonate derivatives. The computations were performed at the B3LYP level with 6-311++G (d,P) standard basis set. Calculated EFG tensors were used to determine the (17)O and (2)H nuclear quadrupole coupling constant, χ and asymmetry parameter, η. For better understanding of the bonding and electronic structure of bisphosphonates, isotropic and anisotropic NMR chemical shieldings were calculated for the (13)C, (17)O and (31)P nuclei using GIAO method for the optimized structure of intermediate bisphosphonates at B3LYP level of theory using 6-311++G (d, p) basis set. The results showed that various substituents have a strong effect on the nuclear quadrupole resonance (NQR) parameters (χ, η) of (17)O in contrast with (2)H NQR parameters. The NMR and NQR parameters were studied in order to find the correlation between electronic structure and the activity of the desired bisphosphonates. In addition, the effect of substitutions on the bisphosphonates polarity was investigated. Molecular polarity was determined via the DFT calculated dipole moment vectors and the results showed that substitution of bromine atom on the ring would increase the activity of bisphosphonates. PMID:21633790

  2. 93Nb Nuclear Quadrupole Resonance in Orthorhombic Phase of Niobium Pentabromide

    NASA Astrophysics Data System (ADS)

    Okubo, Noriaki; Abe, Yoshihito

    1982-05-01

    The 93Nb NQR has been investigated in one phase of NbBr5 which was identified to be orthorhombic by the X-ray analysis. The resonance frequencies have been measured between 4.2 K and 423 K, its melting point. The coupling constant showed a positive temperature dependence up to melting point. The temperature dependence of the coupling constant is compared between NbBr5 and NbCl5 from the view point of π-bond character.

  3. Wireless power transfer based on magnetic quadrupole coupling in dielectric resonators

    NASA Astrophysics Data System (ADS)

    Song, Mingzhao; Iorsh, Ivan; Kapitanova, Polina; Nenasheva, Elizaveta; Belov, Pavel

    2016-01-01

    We numerically investigate a magnetic resonant wireless power transfer system based on high refractive index dielectric resonators. We propose to operate at magnetic quadrupole mode of the resonators to enlarge the efficiency due to minimization of ohmic and radiation losses. Numerical estimation predicts the 80% efficiency of the wireless power transfer (WPT) system operating at quadrupole mode at 300 MHz. Moreover, the system operating at magnetic quadrupole mode is capable of transferring power with 70% efficiency when the receiver rotates 90°. We verify the simulated results by experimental investigation of the WPT system based on microwave ceramic resonators (ɛ = 80 and tanδ = 10-4).

  4. Volovik effect and Fermi-liquid behavior in the s-wave superconductor CaPd2As2: As75 NMR-NQR measurements

    DOE PAGESBeta

    Ding, Q. -P.; Wiecki, P.; Anand, V. K.; Sangeetha, N. S.; Lee, Y.; Johnston, D. C.; Furukawa, Y.

    2016-04-07

    The electronic and magnetic properties of the collapsed-tetragonal CaPd2As2 superconductor (SC) with a transition temperature of 1.27 K have been investigated by 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. The temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T1) and the Knight shifts indicate the absence of magnetic correlations in the normal state. In the SC state, 1/T1 measured by 75As NQR shows a clear Hebel-Slichter (HS) peak just below Tc and decreases exponentially at lower T, confirming a conventional s-wave SC. Additionally, the Volovik effect, also known as the Doppler shift effect, hasmore » been clearly evidenced by the observation of the suppression of the HS peak with applied magnetic field.« less

  5. Studies of the electronic structure and biological activity of chosen 1,4-benzodiazepines by 35Cl NQR spectroscopy and DFT calculations

    NASA Astrophysics Data System (ADS)

    Bronisz, K.; Ostafin, M.; Poleshchuk, O. Kh.; Mielcarek, J.; Nogaj, B.

    2006-11-01

    Selected derivatives of 1,4-benzodiazepine: lorazepam, lormetazepam, oxazepam and temazepam, used as active substances in anxiolytic drugs, have been studied by 35Cl NQR method in order to find the correlation between electronic structure and biological activity. The 35Cl NQR resonance frequencies ( νQ) measured at 77 K have been correlated with the following parameters characterising their biological activity: biological half-life period ( t0.5), affinity to benzodiazepine receptor (IC 50) and mean dose equivalent. The results of experimental study of some benzodiazepine derivatives by nuclear quadrupole resonance of 35Cl nuclei are compared with theoretical results based on DFT calculations which were carried out by means of Gaussian'98 W software.

  6. Volovik effect and Fermi-liquid behavior in the s -wave superconductor CaPd2As2: 75As NMR-NQR measurements

    NASA Astrophysics Data System (ADS)

    Ding, Q.-P.; Wiecki, P.; Anand, V. K.; Sangeetha, N. S.; Lee, Y.; Johnston, D. C.; Furukawa, Y.

    2016-04-01

    The electronic and magnetic properties of the collapsed-tetragonal CaPd2As2 superconductor (SC) with a transition temperature of 1.27 K have been investigated by 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. The temperature (T ) dependence of the nuclear spin lattice relaxation rates (1 /T1) and the Knight shifts indicate the absence of magnetic correlations in the normal state. In the SC state, 1 /T1 measured by 75As NQR shows a clear Hebel-Slichter (HS) peak just below Tc and decreases exponentially at lower T , confirming a conventional s -wave SC. In addition, the Volovik effect, also known as the Doppler shift effect, has been clearly evidenced by the observation of the suppression of the HS peak with applied magnetic field.

  7. 14N quadrupole resonance and 1H T1 dispersion in the explosive RDX.

    PubMed

    Smith, John A S; Blanz, Martin; Rayner, Timothy J; Rowe, Michael D; Bedford, Simon; Althoefer, Kaspar

    2011-12-01

    The explosive hexahydro-1,3,5-trinitro-s-triazine (CH2-N-NO2)3, commonly known as RDX, has been studied by 14N NQR and 1H NMR. NQR frequencies and relaxation times for the three ν+ and ν- lines of the ring 14N nuclei have been measured over the temperature range 230-330 K. The 1H NMR T1 dispersion has been measured for magnetic fields corresponding to the 1H NMR frequency range of 0-5.4 M Hz. The results have been interpreted as due to hindered rotation of the NO2 group about the N-NO2 bond with an activation energy close to 92 kJ mol(-1). Three dips in the 1H NMR dispersion near 120, 390 and 510 kHz are assigned to the ν0, ν- and ν+ transitions of the 14NO2 group. The temperature dependence of the inverse line-width parameters T2∗ of the three ν+ and ν- ring nitrogen transitions between 230 and 320 K can be explained by a distribution in the torsional oscillational amplitudes of the NO2 group about the N-NO2 bond at crystal defects whose values are consistent with the latter being mainly edge dislocations or impurities in the samples studied. Above 310 K, the 14N line widths are dominated by the rapid decrease in the spin-spin relaxation time T2 due to hindered rotation of the NO2 group. A consequence of this is that above this temperature, the 1H T1 values at the quadrupole dips are dominated by the spin mixing time between the 1H Zeeman levels and the combined 1H and 14N spin-spin levels. PMID:21978662

  8. Polymorphism and disorder in natural active ingredients. Low and high-temperature phases of anhydrous caffeine: Spectroscopic ((1)H-(14)N NMR-NQR/(14)N NQR) and solid-state computational modelling (DFT/QTAIM/RDS) study.

    PubMed

    Seliger, Janez; Žagar, Veselko; Apih, Tomaž; Gregorovič, Alan; Latosińska, Magdalena; Olejniczak, Grzegorz Andrzej; Latosińska, Jolanta Natalia

    2016-03-31

    The polymorphism of anhydrous caffeine (1,3,7-trimethylxanthine; 1,3,7-trimethyl-1H-purine-2,6-(3H,7H)-dione) has been studied by (1)H-(14)N NMR-NQR (Nuclear Magnetic Resonance-Nuclear Quadrupole Resonance) double resonance and pure (14)N NQR (Nuclear Quadrupole Resonance) followed by computational modelling (Density Functional Theory, supplemented Quantum Theory of Atoms in Molecules with Reduced Density Gradient) in solid state. For two stable (phase II, form β) and metastable (phase I, form α) polymorphs the complete NQR spectra consisting of 12 lines were recorded. The assignment of signals detected in experiment to particular nitrogen sites was verified with the help of DFT. The shifts of the NQR frequencies, quadrupole coupling constants and asymmetry parameters at each nitrogen site due to polymorphic transition were evaluated. The strongest shifts were observed at N(3) site, while the smallest at N(9) site. The commercial pharmaceutical sample was found to contain approximately 20-25% of phase I and 75-80% of phase II. The orientational disorder in phase II with a local molecular arrangement mimics that in phase I. Substantial differences in the intermolecular interaction phases I and II of caffeine were analysed using computational (DFT/QTAIM/RDS) approach. The analysis of local environment of each nitrogen nucleus permitted drawing some conclusions on the topology of interactions in both polymorphs. For the most stable orientations in phase I and phase II the maps of the principal component qz of EFG tensor and its asymmetry parameter at each point of the molecular system were calculated and visualized. The relevant maps calculated for both phases I and II indicates small variation in electrostatic potential upon phase change. Small differences between packings in phases slightly disturb the neighbourhood of the N(1) and N(7) nitrogens, thus are meaningless from the biological point of view. The composition of two phases in pharmaceutical material

  9. High-Efficiency Resonant Cavity Quadrupole Moment Monitor

    SciTech Connect

    Barov, N.; Nantista, C.D.; Miller, R.H.; Kim, J.S.; /FARTECH, San Diego /SLAC

    2007-04-13

    Measurement of the beam quadrupole moment at several locations can be used to reconstruct the beam envelope and emittance parameters. The measurements can be performed in a non-intercepting way using a set of quadrupole-mode cavities. We present a cavity design with an optimized quadrupole moment shunt impedance. The cavity properties can be characterized using a wire test method to insure symmetry about the central axis, and alignment to nearby position sensing cavities. The design and characterization of the prototype structure is discussed.

  10. /sup 127/I NQR spectra of carborane-containing compounds of polycoordinated iodine

    SciTech Connect

    Semin, G.K.; Grushin, V.V.; Gushchin, S.I.; Lisichkina, I.N.; Petokhov, S.A.; Tolstaya, T.P.

    1985-05-20

    The NQR spectra of polycoordinated iodine compounds is studied. A table presents the I 127 NQR spectra of electroneutral PhIC1/sub 2/ derivatives with intermolecular coordination in the solid state and ionic compounds including compounds with interionic coordination. A considerable increase in the quadrupole coupling constants and significant decrease in the asymmetry parameter is found in carborane-containing CBIC1/sub 2/ and PhCBIX compounds in comparison with the corresponding phenyl and diphenyl derivatives.

  11. Nuclear quadrupole resonance of 14N and 2H in pyrimidines, purines, and their nucleosides

    NASA Astrophysics Data System (ADS)

    Rabbani, S. R.; Edmonds, D. T.; Gosling, P.

    Using nuclear quadrupole double-resonance techniques, nitrogen-14 and deuterium nuclear quadrupole coupling constants and asymmetry parameters have been measured in uracil, 5-bromouracil, cytosine, adenine, xanthine, hypoxanthine, their nucleosides, 2-aminopyrimidine, and benzimidazole. Zeeman studies and the detection of the simultaneous transitions of neighboring nuclei allowed in many cases a complete assignment of the observed spectral lines to particular 14N and 2D sites.

  12. Negative coupling and coupling phase dispersion in a silicon quadrupole micro-racetrack resonator.

    PubMed

    Bachman, Daniel; Tsay, Alan; Van, Vien

    2015-07-27

    We report the first experimental study of the effects of coupling phase dispersion on the spectral response of a two-dimensionally coupled quadrupole micro-racetrack resonator. Negative coupling in the system is observed to manifest itself in the sharp stop band transition and deep extinction in the pseudo-elliptic filter response of the quadrupole. The results demonstrate the feasibility of realizing advanced silicon microring devices based on the 2D coupling topology with general complex coupling coefficients. PMID:26367666

  13. Ferromagnetic Spin Fluctuation and Unconventional Superconductivity in Rb2Cr3As3 Revealed by 75As NMR and NQR

    NASA Astrophysics Data System (ADS)

    Yang, J.; Tang, Z. T.; Cao, G. H.; Zheng, Guo-qing

    2015-10-01

    We report 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) studies on the superconductor Rb2Cr3As3 with a quasi-one-dimensional crystal structure. Below T ˜100 K , the spin-lattice relaxation rate (1 /T1 ) divided by temperature, 1 /T1T , increases upon cooling down to Tc=4.8 K , showing a Curie-Weiss-like temperature dependence. The Knight shift also increases with decreasing temperature. These results suggest ferromagnetic spin fluctuation. In the superconducting state, 1 /T1 decreases rapidly below Tc without a Hebel-Slichter peak, and follows a T5 variation below T ˜3 K , which points to unconventional superconductivity with point nodes in the gap function.

  14. 35Cl NQR study of lattice dynamic and magnetic property of a crystalline coordination polymer {CuCA(phz)(H 2O) 2} n

    NASA Astrophysics Data System (ADS)

    Gotoh, Kazuma; Terao, Takeshi; Asaji, Tetsuo

    2007-01-01

    Copper(II) compounds {CuCA(phz)(H 2O) 2} n (H 2CA = chloranilic acid, phz = phenazine) having a layer structure of -CuCA(H 2O) 2- polymer chains and phenazine were studied by 35Cl nuclear quadrupole resonance (NQR). The single NQR line observed at 35.635 MHz at 261.5 K increased to 35.918 MHz at 4.2 K. The degree of reduction of electric field gradient due to lattice vibrations was similar to that of chloranilic acid crystal. Temperature dependence of spin-lattice relaxation time, T1, of the 35Cl NQR signal below 20 K, between 20 and 210 K, and above 210 K, was explained by (1) a decrease of effective electron-spin density caused by antiferromagnetic interaction, (2) a magnetic interaction between Cl nuclear-spin and electron-spins on paramagnetic Cu(II) ions, and (3) an increasing contribution from reorientation of ligand molecules, respectively. The electron spin-exchange parameter ∣ J∣ between the neighboring Cu(II) electrons was estimated to be 0.33 cm -1 from the T1 value of the range 20-210 K. Comparing this value with that of J = -1.84 cm -1 estimated from the magnetic susceptibility, it is suggested that the magnetic dipolar coupling with the electron spins on Cu(II) ions must be the principal mechanism for the 35Cl NQR spin-lattice relaxation of {CuCA(phz)(H 2O) 2} n but a delocalization of electron spin over the chloranilate ligand has to be taken into account.

  15. ¹⁴N Quadrupole Resonance line broadening due to the earth magnetic field, occuring only in the case of an axially symmetric electric field gradient tensor.

    PubMed

    Aissani, Sarra; Guendouz, Laouès; Marande, Pierre-Louis; Canet, Daniel

    2015-01-01

    As demonstrated before, the application of a weak static B0 magnetic field (less than 10 G) may produce definite effects on the ¹⁴N Quadrupole Resonance line when the electric field gradient tensor at the nitrogen nucleus level is of axial symmetry. Here, we address more precisely the problem of the relative orientation of the two magnetic fields (the static field and the radio-frequency field of the pure NQR experiment). For a field of 6G, the evolution of the signal intensity, as a function of this relative orientation, is in very good agreement with the theoretical predictions. There is in particular an intensity loss by a factor of three when going from the parallel configuration to the perpendicular configuration. By contrast, when dealing with a very weak magnetic field (as the earth field, around 0.5 G), this effect drops to ca. 1.5 in the case Hexamethylenetetramine (HMT).This is explained by the fact that the Zeeman shift (due to the very weak magnetic field) becomes comparable to the natural line-width. The latter can therefore be determined by accounting for this competition. Still in the case of HMT, the estimated natural line-width is half the observed line-width. The extra broadening is thus attributed to earth magnetic field. The latter constitutes therefore the main cause of the difference between the natural transverse relaxation time (T₂) and the transverse relaxation time derived from the observed line-width (T₂(⁎)). PMID:25910551

  16. Group theoretical classification of halogen nuclear quadrupole resonance spectra of distorted tetragonal antifluorite crystals

    NASA Astrophysics Data System (ADS)

    Morra, Rose M.; Armstrong, Robin L.

    A classification of the patterns of halogen nuclear quadrupole resonance lines resulting from distortions of the tetragonal R 2MX 6 structures C4 h5( I4/ m) and D4 h6( P4/ mnc) is given. Formal methods of group thepry are used to identify low symmetry space groups with the symmetries of vectors in an irreducible representation space of the high symmetry space group. Classification charts are presented which permit the identification of those space groups and primary order parameters which are compatible with particular halogen nuclear quadrupole resonance spectra. The discussion is limited to structural phase transitions involving the points of symmetry in the Brillouin zones of the high temperature phases. The sequences of structural transitions in K 2ReCl 6 and (NH 4) 2SnBr 6 are discussed as illustrations of the use of these charts.

  17. DC superconducting quantum interference device usable in nuclear quadrupole resonance and zero field nuclear magnetic spectrometers

    DOEpatents

    Fan, N.Q.; Clarke, J.

    1993-10-19

    A spectrometer for measuring the nuclear quadrupole resonance spectra or the zero-field nuclear magnetic resonance spectra generated by a sample is disclosed. The spectrometer uses an amplifier having a dc SQUID operating in a flux-locked loop for generating an amplified output as a function of the intensity of the signal generated by the sample. The flux-locked loop circuit includes an integrator. The amplifier also includes means for preventing the integrator from being driven into saturation. As a result, the time for the flux-locked loop to recover from the excitation pulses generated by the spectrometer is reduced. 7 figures.

  18. DC superconducting quantum interference device usable in nuclear quadrupole resonance and zero field nuclear magnetic spectrometers

    DOEpatents

    Fan, Non Q.; Clarke, John

    1993-01-01

    A spectrometer for measuring the nuclear quadrupole resonance spectra or the zero-field nuclear magnetic resonance spectra generated by a sample is disclosed. The spectrometer uses an amplifier having a dc SQUID operating in a flux-locked loop for generating an amplified output as a function of the intensity of the signal generated by the sample. The flux-locked loop circuit includes an integrator. The amplifier also includes means for preventing the integrator from being driven into saturation. As a result, the time for the flux-locked loop to recover from the excitation pulses generated by the spectrometer is reduced.

  19. Magnetic correlations in La(2-x)Sr(x)CuO4 from NQR relaxation and specific heat

    NASA Technical Reports Server (NTRS)

    Borsa, F.; Rigamonti, A.

    1991-01-01

    La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for x ranging from 0 up to 0.3, with particular emphasis on the effect of doping on the Cu(2+) magnetic correlations and dynamics, are reviewed. In the low doping limit, x less than or equal to 0.05, the results can be interpreted consistently in terms of a simple phenomenological 'two-fluids' model whereby the effect of thermally-activated mobile O(2p) holes is the one of disrupting locally the Cu(2+) spin correlations. For x greater than or equal to 0.1, the results indicate the onset, as T approaches T(sub c)(+), of a strong coupling between Cu(2+) spins and the Fermi liquid of O(2p) holes leading to the apparent disappearance of localized Cu(2+) moment in connection with the opening of a superconducting gap.

  20. NMR and NQR study of the thermodynamically stable quasicrystals

    SciTech Connect

    Shastri, A.

    1995-02-10

    {sup 27}Al and {sup 61,65}Cu NMR measurements are reported for powder samples of stable AlCuFe and AlCuRu icosahedral quasicrystals and their crystalline approximants, and for a AlPdMn single grain quasicrystal. Furthermore, {sup 27}Al NQR spectra at 4.2 K have been observed in the AlCuFe and AlCuRu samples. From the quadrupole perturbed NMR spectra at different magnetic fields, and from the zero field NQR spectra, a wide distribution of local electric field gradient (EFG) tensor components and principal axis system orientations was found at the Al site. A model EFG calculation based on a 1/1 AlCuFe approximant was successful in explaining the observed NQR spectra. It is concluded that the average local gradient is largely determined by the p-electron wave function at the Al site, while the width of the distribution is due to the lattice contribution to the EFG. Comparison of {sup 63}Cu NMR with {sup 27}Al NMR shows that the EFG distribution at the two sites is similar, but that the electronic contribution to the EFG is considerably smaller at the Cu site, in agreement with a more s-type wave function of the conduction electrons.

  1. A High-Efficiency Resonant Cavity for Measurement of a Beam Quadrupole Moment

    SciTech Connect

    Barov, N.; Kim, J.S.; Nantista, C.D.; Miller, R.H.; /SLAC

    2005-10-26

    Many particle accelerator applications can benefit from online pulse-by-pulse nonintercepting emittance measurement system. Recently, there has been much interest in performing such a measurement with a set of resonant quadrupole-mode cavities. This article explores a geometry to achieve an enhanced shunt impedance in such a cavity by adding a set of posts forming capacitive gaps near the beam pipe outer radius. For typical diagnostic cavity applications, a five-fold increase in shunt impedance can be obtained with this method. The effect of errors in cavity fabrication on the required mode structure are explored.

  2. Fission decay of the giant quadrupole resonance for /sup 234/U

    SciTech Connect

    Arruda-Neto, J.D.T.; Berman, B.L.; Herdade, S.B.; Nascimento, I.C.

    1981-06-01

    The electrofission cross section for /sup 234/U from 5.5 to 25.4 MeV has been measured. From a combined analysis of it and the previously measured photofission cross section, using virtual-photon spectra calculated in the distorted-wave Born approximation, the E2 photofission cross section has been determined. Parameters of the fission-decay branch of the giant quadrupole resonance for this nucleus have been obtained. A comparison of the E2 and E1 integrated photofission cross sections for the even uranium isotopes shows that the E1 fission channel increases in strength more rapidly with fissility than does the E2 channel.

  3. Suppression of electron correlations in the collapsed tetragonal phase of CaFe2As2 under ambient pressure demonstrated by As75 NMR/NQR measurements

    SciTech Connect

    Furukawa, Yuji; Roy, Beas; Ran, Sheng; Budko, Sergey L.; Canfield, Paul C.

    2014-03-20

    The static and the dynamic spin correlations in the low-temperature collapsed tetragonal and the high-temperature tetragonal phase in CaFe2As2 have been investigated by As75 nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. Through the temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T1) and the Knight shifts, although stripe-type antiferromagnetic (AFM) spin correlations are realized in the high-temperature tetragonal phase, no trace of the AFM spin correlations can be found in the nonsuperconducting, low-temperature, collapsed tetragonal (cT) phase. Given that there is no magnetic broadening in As75 NMR spectra, together with the T-independent behavior of magnetic susceptibility χ and the T dependence of 1/T1Tχ, we conclude that Fe spin correlations are completely quenched statically and dynamically in the nonsuperconducting cT phase in CaFe2As2.

  4. Suppression of electron correlations in the collapsed tetragonal phase of CaFe2As2 under ambient pressure demonstrated by As75 NMR/NQR measurements

    NASA Astrophysics Data System (ADS)

    Furukawa, Y.; Roy, B.; Ran, S.; Bud'ko, S. L.; Canfield, P. C.

    2014-03-01

    The static and the dynamic spin correlations in the low-temperature collapsed tetragonal and the high-temperature tetragonal phase in CaFe2As2 have been investigated by As75 nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements. Through the temperature (T) dependence of the nuclear spin lattice relaxation rates (1/T1) and the Knight shifts, although stripe-type antiferromagnetic (AFM) spin correlations are realized in the high-temperature tetragonal phase, no trace of the AFM spin correlations can be found in the nonsuperconducting, low-temperature, collapsed tetragonal (cT) phase. Given that there is no magnetic broadening in As75 NMR spectra, together with the T-independent behavior of magnetic susceptibility χ and the T dependence of 1/T1Tχ, we conclude that Fe spin correlations are completely quenched statically and dynamically in the nonsuperconducting cT phase in CaFe2As2.

  5. Coexistence of multiple charge-density waves and superconductivity in SrPt2As2 revealed by 75As-NMR /NQR and 195Pt-NMR

    NASA Astrophysics Data System (ADS)

    Kawasaki, Shinji; Tani, Yoshihiko; Mabuchi, Tomosuke; Kudo, Kazutaka; Nishikubo, Yoshihiro; Mitsuoka, Daisuke; Nohara, Minoru; Zheng, Guo-qing

    2015-02-01

    The relationship between charge-density wave (CDW) orders and superconductivity in arsenide superconductor SrPt2As2 with Tc=5.2 K which crystallizes in the CaBe2Ge2 -type structure was studied by 75As nuclear magnetic resonance (NMR) measurements up to 520 K, and 75As nuclear quadrupole resonance (NQR) and 195Pt-NMR measurements down to 1.5 K. At high temperature, 75As-NMR spectrum and nuclear-spin-relaxation rate (1 /T1) have revealed two distinct CDW orders, one realized in the As-Pt-As layer below TCDWAs (1 )=410 K and the other in the Pt-As-Pt layer below TCDWAs (2 )=255 K . The 1 /T1 measured by 75As-NQR shows a clear Hebel-Slichter peak just below Tc and decreases exponentially well below Tc. Concomitantly, 195Pt Knight shift decreases below Tc. Our results indicate that superconductivity in SrPt2As2 is in the spin-singlet state with an s -wave gap and is robust under the two distinct CDW orders in different layers.

  6. Ferromagnetic Quantum Critical Fluctuations and Anomalous Coexistence of Ferromagnetism and Superconductivity in UCoGe Revealed by Co-NMR and NQR Studies

    NASA Astrophysics Data System (ADS)

    Ohta, Tetsuya; Nakai, Yusuke; Ihara, Yoshihiko; Ishida, Kenji; Deguchi, Kazuhiko; Sato, Noriaki K.; Satoh, Isamu

    2008-02-01

    Co nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) studies were carried out for the recently discovered UCoGe, in which the ferromagnetic and superconducting (SC) transitions are reported to occur at TCurie˜ 3 K and TS˜ 0.8 K [Huy et al.: Phys. Rev. Lett. 99 (2007) 067006], in order to investigate the coexistence of ferromagnetism and superconductivity as well as the normal-state and SC properties from a microscopic point of view. From the nuclear spin-lattice relaxation rate 1/T1 and Knight-shift measurements, we confirm that ferromagnetic fluctuations that possess a quantum critical character are present above TCurie and also the occurrence of a ferromagnetic transition at 2.5 K in our polycrystalline sample. The magnetic fluctuations in the normal state show that UCoGe is an itinerant ferromagnet similar to ZrZn2 and YCo2. The onset SC transition is identified at TS˜ 0.7 K, below which 1/T1 arising from 30% of the volume fraction starts to decrease due to the opening of the SC gap. This component of 1/T1, which follows a T3 dependence in the temperature range 0.3-0.1 K, coexists with the magnetic components of 1/T1 showing a \\sqrt{T} dependence below TS. From the NQR measurements in the SC state, we suggest that the self-induced vortex state is realized in UCoGe.

  7. Quality control and health monitoring of aerospace composites via quadrupole resonance

    NASA Astrophysics Data System (ADS)

    Ward, Catherine; Vierkoetter, Stephanie A.

    2005-05-01

    Techniques for quality control and health monitoring of aerospace composite structures must be reliable, nonintrusive and preferably, non-contacting. Quadrupole resonance (QR) spectroscopy can fill this need. Previously, we have demonstrated that Quadrupole Resonance can be used for nondestructive inspection of polymeric fiber-reinforced composites, which can be exploited for both in-service inspection and on-going structural health monitoring.1-6 In this paper we present an extension of this work, applying the QR method to the quality control of composite parts manufactured via pultrusion. In order to use the QR method for quality control of composite parts they must contain a small amount of tiny crystals of a QR active compound. These crystals are embedded in the part during the manufacture by blending it into the uncured resin. The QR active crystals sense any residual strains that may form inside the part during the manufacturing process. The crystals are interrogated via a single-side coil detector head, which transmits radio frequency (RF) pulses into the composite part. The strain-dependent QR response from the crystals is picked up by the same detector head. The results presented in this paper demonstrate that the QR method is very successful at distinguishing composites parts manufactured under optimal conditions from those that were manufactured with a misaligned die or at reduced temperatures. Both QR frequency and line widths were used as a distinguishing parameter.

  8. The pygmy quadrupole resonance and neutron-skin modes in 124Sn

    NASA Astrophysics Data System (ADS)

    Spieker, M.; Tsoneva, N.; Derya, V.; Endres, J.; Savran, D.; Harakeh, M. N.; Harissopulos, S.; Herzberg, R.-D.; Lagoyannis, A.; Lenske, H.; Pietralla, N.; Popescu, L.; Scheck, M.; Schlüter, F.; Sonnabend, K.; Stoica, V. I.; Wörtche, H. J.; Zilges, A.

    2016-01-01

    We present an extensive experimental study of the recently predicted pygmy quadrupole resonance (PQR) in Sn isotopes, where complementary probes were used. In this study, (α ,α‧ γ) and (γ ,γ‧) experiments were performed on 124Sn. In both reactions, Jπ =2+ states below an excitation energy of 5 MeV were populated. The E2 strength integrated over the full transition densities could be extracted from the (γ ,γ‧) experiment, while the (α ,α‧ γ) experiment at the chosen kinematics strongly favors the excitation of surface modes because of the strong α-particle absorption in the nuclear interior. The excitation of such modes is in accordance with the quadrupole-type oscillation of the neutron skin predicted by a microscopic approach based on self-consistent density functional theory and the quasiparticle-phonon model (QPM). The newly determined γ-decay branching ratios hint at a non-statistical character of the E2 strength, as it has also been recently pointed out for the case of the pygmy dipole resonance (PDR). This allows us to distinguish between PQR-type and multiphonon excitations and, consequently, supports the recent first experimental indications of a PQR in 124Sn.

  9. Electron cyclotron resonance near the axis of a quadrupole linear trap

    NASA Astrophysics Data System (ADS)

    Kotelnikov, I. A.; Romé, M.

    2012-12-01

    The quasi-longitudinal propagation of an extraordinary electromagnetic wave in the vicinity of the electron cyclotron resonance layer in an open linear trap with a quadrupole magnetic field is studied analytically, taking into account the inhomogeneity of the magnetic field in a paraxial approximation. The ray trajectories are derived from a simplified dispersion equation, that is, nonetheless able to accurately describe the transition from finite to zero perpendicular refractive index. A criterion for an on-axis resonance point to be an attractor for the ray trajectories is formulated, which generalizes a similar criterion for axisymmetric linear traps derived in a recent paper [D. S. Bagulov and I. A. Kotelnikov, Phys. Plasmas 19, 082502 (2012)].

  10. Electron cyclotron resonance near the axis of a quadrupole linear trap

    SciTech Connect

    Kotelnikov, I. A.; Rome, M.

    2012-12-15

    The quasi-longitudinal propagation of an extraordinary electromagnetic wave in the vicinity of the electron cyclotron resonance layer in an open linear trap with a quadrupole magnetic field is studied analytically, taking into account the inhomogeneity of the magnetic field in a paraxial approximation. The ray trajectories are derived from a simplified dispersion equation, that is, nonetheless able to accurately describe the transition from finite to zero perpendicular refractive index. A criterion for an on-axis resonance point to be an attractor for the ray trajectories is formulated, which generalizes a similar criterion for axisymmetric linear traps derived in a recent paper [D. S. Bagulov and I. A. Kotelnikov, Phys. Plasmas 19, 082502 (2012)].

  11. Simplest photonuclear reactions accompanied by the excitation of isovector giant dipole and quadrupole resonances: Semimicroscopic description

    SciTech Connect

    Tulupov, B. A.; Urin, M. H.

    2012-09-15

    A semimicroscopic approach based on the continuum version of the random-phase approximation (CRPA) and on a semiphenomenological inclusion of the fragmentation effect is applied to describing cross sections for photoabsorption and direct plus semidirect and inverse reactions accompanied by the excitation of isovector giant dipole and quadrupole resonances. In addition to the spinless part of the Landau-Migdal interaction and a partly self-consistent phenomenological mean field of the nucleus, that version of the approach which is used here takes into account isovector separable velocity-dependent forces, as well as the effect of the fragmentation shift of the giant-resonance energy. The results obtained by calculating various features of the aforementioned cross sections for a number of magic and semimagic medium-mass nuclei are compared with respective experimental data.

  12. Fluctuation properties of the strength function associated with the giant quadrupole resonance in {sup 208}Pb

    SciTech Connect

    Aiba, Hirokazu; Matsuo, Masayuki; Nishizaki, Shigeru; Suzuki, Toru

    2011-02-15

    We performed fluctuation analysis by means of the local scaling dimension for the strength function of the isoscalar (IS) giant quadrupole resonance (GQR) in {sup 208}Pb where the strength function is obtained by the shell model calculation including 1p1h and 2p2h configurations. It is found that at almost all energy scales, fluctuation of the strength function obeys the Gaussian orthogonal ensemble (GOE) random matrix theory limit. This is contrasted with the results for the GQR in {sup 40}Ca, where at the intermediate energy scale of about 1.7 MeV, a deviation from the GOE limit was detected. It is found that the physical origin for this different behavior of the local scaling dimension is ascribed to the difference in the properties of the damping process.

  13. Fine structure of the isoscalar giant quadrupole resonance in 28Si and 27Al

    NASA Astrophysics Data System (ADS)

    Usman, I. T.; Buthelezi, Z.; Carter, J.; Cooper, G. R. J.; Fearick, R. W.; Förtsch, S. V.; Fujita, H.; Fujita, Y.; von Neumann-Cosel, P.; Neveling, R.; Papakonstantinou, P.; Pysmenetska, I.; Richter, A.; Roth, R.; Sideras-Haddad, E.; Smit, F. D.

    2016-08-01

    The isoscalar giant quadrupole resonance in 28Si and 27Al has been investigated with high-energy-resolution proton inelastic scattering at Ep=200 MeV and at scattering angles close to the maximum of Δ L =2 angular distributions with the K600 magnetic spectrometer of iThemba LABS, South Africa. Characteristic scales are extracted from the observed fine structure with a wavelet analysis and compared for 28Si with random-phase approximation and second random phase approximation calculations with an interaction derived from the Argonne V18 potential by a unitary transformation. A recent extension of the method to deformed nuclei provides the best description of the data, suggesting the significance of Landau damping.

  14. Boron-11 pure quadrupole resonance investigation of peptide boronic acid inhibitors bound to alpha-lytic protease.

    PubMed

    Ivanov, Dmitri; Bachovchin, William W; Redfield, Alfred G

    2002-02-01

    Pure quadrupole resonance is a potentially useful spectroscopic approach to study the coordination of quadrupolar nuclei in biological systems. We used a field-cycling NMR method to observe boron pure quadrupole resonance of two peptide boronic acid inhibitors bound to alpha-lytic protease. The method is similar to our earlier field-cycling experiment [Ivanov, D., and Redfield, A. R. (1998) Z. Naturforsch. A 53, 269-272] but uses a simple Hartmann-Hahn transfer from proton to (11)B before field cycle and direct (11)B observe after it. Pure quadrupole resonance is sensitive to the boron coordination geometry. For example, trigonal boron in neutral phenylboronic acid, which was used as a model compound, resonates at 1450 kHz, while the resonance of the tetrahedral phenylboronic acid anion appears at approximately 600 kHz. In the complex of the MeOSuc-Ala-Ala-Pro-boroVal inhibitor with the enzyme the quadrupole resonance signal was observed at 600-650 kHz, which indicates tetrahedral boron coordination in the active site. The quadrupole frequency of the MeOSuc-Ala-Ala-Pro-boroPhe enzyme-inhibitor complex, in which a boron-histidine bond is known to be formed, was found to be the same within experimental error as in the MeOSuc-Ala-Ala-Pro-boroVal enzyme-inhibitor adduct, suggesting that the boron coordination geometry in the enzyme-MeOSuc-Ala-Ala-Pro-boroPhe adduct is also close to tetrahedral. PMID:11814352

  15. FPGA based pulsed NQR spectrometer

    NASA Astrophysics Data System (ADS)

    Hemnani, Preeti; Rajarajan, A. K.; Joshi, Gopal; Motiwala, Paresh D.; Ravindranath, S. V. G.

    2014-04-01

    An NQR spectrometer for the frequency range of 1 MHz to 5 MHZ has been designed constructed and tested using an FPGA module. Consisting of four modules viz. Transmitter, Probe, Receiver and computer controlled (FPGA & Software) module containing frequency synthesizer, pulse programmer, mixer, detection and display, the instrument is capable of exciting nuclei with a power of 200W and can detect signal of a few microvolts in strength. 14N signal from NaNO2 has been observed with the expected signal strength.

  16. Global investigation of the fine structure of the isoscalar giant quadrupole resonance

    SciTech Connect

    Shevchenko, A.; Burda, O.; Kalmykov, Y.; Neumann-Cosel, P. von; Ponomarev, V. Yu.; Richter, A.; Wambach, J.; Carter, J.; Sideras-Haddad, E.; Cooper, G. R. J.; Fearick, R. W.; Foertsch, S. V.; Lawrie, J. J.; Neveling, R.; Smit, F. D.; Fujita, H.; Fujita, Y.; Lacroix, D.

    2009-04-15

    Fine structure in the region of the isoscalar giant quadrupole resonance (ISGQR) in {sup 58}Ni, {sup 89}Y, {sup 90}Zr, {sup 120}Sn, {sup 166}Er, and {sup 208}Pb has been observed in high-energy-resolution ({delta}E{sub 1/2}{approx_equal}35-50 keV) inelastic proton scattering measurements at E{sub 0}=200 MeV at iThemba LABS. Calculations of the corresponding quadrupole excitation strength functions performed within models based on the random-phase approximation (RPA) reveal similar fine structure when the mixing of one-particle one-hole states with two-particle two-hole states is taken into account. A detailed comparison of the experimental data is made with results from the quasiparticle-phonon model (QPM) and the extended time-dependent Hartree-Fock (ETDHF) method. For {sup 208}Pb, additional theoretical results from second RPA and the extended theory of finite Fermi systems (ETFFS) are discussed. A continuous wavelet analysis of the experimental and the calculated spectra is used to extract dominant scales characterizing the fine structure. Although the calculations agree with qualitative features of these scales, considerable differences are found between the model and experimental results and amongst different models. Within the framework of the QPM and ETDHF calculations it is possible to decompose the model spaces into subspaces approximately corresponding to different damping mechanisms. It is demonstrated that characteristic scales mainly arise from the collective coupling of the ISGQR to low-energy surface vibrations.

  17. SQUID detected NMR and NQR. Superconducting Quantum Interference Device.

    PubMed

    Augustine, M P; TonThat, D M; Clarke, J

    1998-03-01

    The dc Superconducting QUantum Interference Device (SQUID) is a sensitive detector of magnetic flux, with a typical flux noise of the order 1 muphi0 Hz(-1/2) at liquid helium temperatures. Here phi0 = h/2e is the flux quantum. In our NMR or NQR spectrometer, a niobium wire coil wrapped around the sample is coupled to a thin film superconducting coil deposited on the SQUID to form a flux transformer. With this untuned input circuit the SQUID measures the flux, rather than the rate of change of flux, and thus retains its high sensitivity down to arbitrarily low frequencies. This feature is exploited in a cw spectrometer that monitors the change in the static magnetization of a sample induced by radio frequency irradiation. Examples of this technique are the detection of NQR in 27Al in sapphire and 11B in boron nitride, and a level crossing technique to enhance the signal of 14N in peptides. Research is now focused on a SQUID-based spectrometer for pulsed NQR and NMR, which has a bandwidth of 0-5 MHz. This spectrometer is used with spin-echo techniques to measure the NQR longitudinal and transverse relaxation times of 14N in NH4ClO4, 63+/-6 ms and 22+/-2 ms, respectively. With the aid of two-frequency pulses to excite the 359 kHz and 714 kHz resonances in ruby simultaneously, it is possible to obtain a two-dimensional NQR spectrum. As a third example, the pulsed spectrometer is used to study NMR spectrum of 129Xe after polariza-tion with optically pumped Rb. The NMR line can be detected at frequencies as low as 200 Hz. At fields below about 2 mT the longitudinal relaxation time saturates at about 2000 s. Two recent experiments in other laboratories have extended these pulsed NMR techniques to higher temperatures and smaller samples. In the first, images were obtained of mineral oil floating on water at room temperature. In the second, a SQUID configured as a thin film gradiometer was used to detect NMR in a 50 microm particle of 195Pt at 6 mT and 4.2 K. PMID:9650797

  18. Temperature dependence of 35Cl NQR in 3,4-Dichlorophenol

    NASA Astrophysics Data System (ADS)

    Chandramani, R.; Devaraj, N.; Indumathy, A.; Ramakrishna, J.

    NQR frequencies in 3,4-dichlorophenol are investigated in the temperature range 77 K to room temperature. Two resonances have been observed throughout the temperature range, corresponding to the two chemically inequivalent chlorine sites. Using Bayer's theory and Brown's method torsional frequencies and their temperature dependence in this range are estimated.

  19. Persistence of singlet fluctuations in the coupled spin tetrahedra system Cu2Te2O5Br2 revealed by high-field magnetization, 79Br NQR, and 125Te NMR

    NASA Astrophysics Data System (ADS)

    Baek, S.-H.; Choi, K.-Y.; Berger, H.; Büchner, B.; Grafe, H.-J.

    2012-11-01

    We present high-field magnetization and 79Br nuclear quadrupole resonance (NQR) and 125Te nuclear magnetic resonance (NMR) studies in the weakly coupled Cu2+ (S=1/2) tetrahedral system Cu2Te2O5Br2. The field-induced level crossing effects were observed by the magnetization measurements in a long-ranged magnetically ordered state which was confirmed by a strong divergence of the spin-lattice relaxation rate T1-1 at T0=13.5 K. In the paramagnetic state, T1-1 reveals an effective singlet-triplet spin gap much larger than that observed by static bulk measurements. Our results imply that the inter- and the intratetrahedral interactions compete, but at the same time they cooperate strengthening effectively the local intratetrahedral exchange couplings. We discuss that the unusual feature originates from the frustrated intertetrahedral interactions.

  20. Demonstration of an ultrasensitive refractive-index plasmonic sensor by enabling its quadrupole resonance in phase interrogation.

    PubMed

    Lee, Hsin-Cheng; Li, Chung-Tien; Chen, How-Foo; Yen, Ta-Jen

    2015-11-15

    We present an ultrasensitive plasmonic sensing system by introducing a nanostructured X-shaped plasmonic sensor (XPS) and measuring its localized optical properties in phase interrogation. Our tailored XPS exhibits two major resonant modes of a low-order dipole and a high-order quadrupole, between which the quadrupole resonance allows an ultrahigh sensitivity, due to its higher quality factor. Furthermore, we design an in-house common-path phase-interrogation system, in contrast to conventional wavelength-interrogation methods, to achieve greater sensing capability. The experimental measurement shows that the sensing resolution of the XPS reaches 1.15×10(-6) RIU, not only two orders of magnitude greater than the result of the controlled extinction measurement (i.e., 9.90×10(-5) RIU), but also superior than current reported plasmonic sensors. PMID:26565822

  1. β-detected nuclear quadrupole resonance and relaxation of 8Li+ in sapphire

    NASA Astrophysics Data System (ADS)

    Salman, Z.; Chow, K. H.; Hossain, M. D.; Kiefl, R. F.; Levy, C. D. P.; Parolin, T. J.; Pearson, M. R.; Saadaoui, H.; Wang, D.; MacFarlane, W. A.

    2014-12-01

    We report detailed behaviour of low energy 8Li implanted near the surface of α- Al2O3 single crystal, as revealed by beta-detected NQR of 8Li. We find that the implanted 8Li occupies at least two sites with non-cubic symmetry in the Al2O3 lattice. In both sites the 8Li experiences axially symmetric electric field gradient, with the main principal axis along the c-crystallographic direction. The temperature and field dependence of the spin lattice relaxation of 8Li in α-Al2O3, indicate that the 8Li diffusion is negligible on the scale of its lifetime, 1.21 s.

  2. Electronic properties of Y-Ba-Cu-O superconductors as seen by Cu and O NMR/NQR

    NASA Technical Reports Server (NTRS)

    Brinkmann, D.

    1995-01-01

    Nuclear Magnetic Resonance (NMR) and Nuclear Quadrupole Resonance (NQR) allow the investigation of electronic properties at the atomic level. We will report on such studies of typical members of the the Y-Ba-Cu-O family such as YBa2Cu30(6 + x) (1-2-3-(6 + x)), YBa2Cu4O8 (1-2-4) and Y2Ba4Cu7015 (2-4-7) with many examples of recent work performed in our laboratory. In particular, we will deal with Knight shift and relaxation studies of copper and oxygen. We will discuss important issues of current studies such as: (1) Existence of a common electronic spin-susceptibility in the planes (and perhaps in the chains) of 1-2-4; (2) Strong evidence for the existence of a pseudo spin-gap of the antiferromagnetic fluctuations in 1-2-4 and 2-4-7; (3) Evidence for d-wave pairing in 1-2-4; (4) Strong coupling of inequivalent Cu-O planes in 2-4-7 and possible origin for the high Tc value of this compound; and (5) The possibility to describe NMR data in the framework of a charge-excitation picture.

  3. Magnetic-field-induced quadrupole coupling in the nuclear magnetic resonance of noble-gas atoms and molecules

    SciTech Connect

    Manninen, Pekka; Vaara, Juha; Pyykkoe, Pekka

    2004-10-01

    An analytic response theory formulation for the leading-order magnetic field-induced and field-dependent quadrupole splitting in nuclear magnetic resonance spectra is presented and demonstrated with first-principles calculations for {sup 21}Ne, {sup 36}Ar, and {sup 83}Kr in noble gas atoms. The case of molecules was studied for {sup 33}S in the sulphur hexafluoride molecule, as well as for {sup 47/49}Ti, {sup 91}Zr, and {sup 177,179}Hf in group(IV) tetrahalides. According to our calculations, the hitherto experimentally unknown field-induced quadrupole splitting in molecules rises to 10{sup 2} Hz for {sup 177,179}Hf nuclei in HfF{sub 4} and 10{sup 1} Hz for {sup 47/49}Ti in TiCl{sub 4}, and is hence of observable magnitude.

  4. A miniaturized NQR spectrometer for a multi-channel NQR-based detection device

    NASA Astrophysics Data System (ADS)

    Beguš, Samo; Jazbinšek, Vojko; Pirnat, Janez; Trontelj, Zvonko

    2014-10-01

    A low frequency (0.5-5 MHz) battery operated sensitive pulsed NQR spectrometer with a transmitter power up to 5 W and a total mass of about 3 kg aimed at detecting 14N NQR signals, predominantly of illicit materials, was designed and assembled. This spectrometer uses a standard software defined radio (SDR) platform for the data acquisition unit. Signal processing is done with the LabView Virtual instrument on a personal computer. We successfully tested the spectrometer by measuring 14N NQR signals from aminotetrazole monohydrate (ATMH), potassium nitrate (PN), paracetamol (PCM) and trinitrotoluene (TNT). Such a spectrometer is a feasible component of a portable single or multichannel 14N NQR based detection device.

  5. A miniaturized NQR spectrometer for a multi-channel NQR-based detection device.

    PubMed

    Beguš, Samo; Jazbinšek, Vojko; Pirnat, Janez; Trontelj, Zvonko

    2014-10-01

    A low frequency (0.5-5 MHz) battery operated sensitive pulsed NQR spectrometer with a transmitter power up to 5 W and a total mass of about 3 kg aimed at detecting (14)N NQR signals, predominantly of illicit materials, was designed and assembled. This spectrometer uses a standard software defined radio (SDR) platform for the data acquisition unit. Signal processing is done with the LabView Virtual instrument on a personal computer. We successfully tested the spectrometer by measuring (14)N NQR signals from aminotetrazole monohydrate (ATMH), potassium nitrate (PN), paracetamol (PCM) and trinitrotoluene (TNT). Such a spectrometer is a feasible component of a portable single or multichannel (14)N NQR based detection device. PMID:25233110

  6. Quadrupole moments in chiral material DyFe3(BO3)4 observed by resonant x-ray diffraction

    NASA Astrophysics Data System (ADS)

    Nakajima, Hiroshi; Usui, Tomoyasu; Joly, Yves; Suzuki, Motohiro; Wakabayashi, Yusuke; Kimura, Tsuyoshi; Tanaka, Yoshikazu

    2016-04-01

    By means of circularly polarized x rays at the Dy L3 and Fe K absorption edges, the chiral structure of the electric quadrupole was investigated for a single crystal of DyFe3(BO3)4, in which both Dy and Fe ions exhibit a spiral arrangement. The integrated intensity of the resonant x-ray diffraction of space-group forbidden reflections 004 and 005 is interpreted within the electric dipole transitions from Dy 2 p3/2 to 5 d and Fe 1 s to 4 p , respectively. We have confirmed that the handedness of the crystal observed at Dy L3 and Fe K edges is consistent with that observed at Dy M5 edge reported in a previous study. The electric quadrupole moments of Dy 5 d and Fe 4 p are derived by analyzing the azimuth scans of the diffracted intensity. The temperature profiles of the integrated intensity of 004 at the Dy L3 and the Fe K edges are similar to those of Dy-O and Fe-O bond lengths, while the temperature dependence at the Dy M5 edge does not match the bond-length behavior. The results indicate that the helix chiral orientations of quadrupole moments due to Dy 5 d and Fe 4 p electrons are more strongly coupled to the ligands states than Dy 4 f electrons.

  7. Sb-NQR study on novel superconductivity in (Pr 1-xLa x)Os 4Sb 12

    NASA Astrophysics Data System (ADS)

    Nagai, Takayuki; Yogi, Mamoru; Imamura, Yoju; Mukuda, Hidekazu; Kitaoka, Yoshio; Kikuchi, Daisuke; Sugawara, Hitoshi; Sato, Hideyuki

    2007-03-01

    We report on superconducting (SC) properties in a series of filled-skutterudite compounds (Pr 1-xLa x)Os 4Sb 12 through the Sb nuclear-quadrupole-resonance (NQR). In the SC state, the nuclear spin-lattice relaxation rate 1/ T1Pr at Pr-cage decreases exponentially with no coherence peak below TC, consistent with the results for the pure PrOs 4Sb 12. In the Pr-rich compounds of x=0.05 and 0.2, the residual density of states (RDOS) at the Fermi level are induced below TC due to the La substitution. It is concluded that the RDOS is not due to the impurity effect that used to be observed in unconventional superconductors with line-node gap. Rather, a part of the Fermi surface that contributes to 5.5% of the total is suggested to become gapless for x=0.05 and 0.2, yielding the RDOS. For the La-rich compounds of x=0.4, 0.8 and 1, as the Pr-substitution for La increases, TC increases and a size of energy gap increases. The Pr-substitution for La makes the pairing interaction for forming the Cooper pairs strong and causes an anisotropy in its energy-gap structure.

  8. Magnetic correlations in La(2-x)Sr(x)CuO4 from NQR relaxation and specific heat

    NASA Technical Reports Server (NTRS)

    Borsa, F.; Rigamonti, A.

    1990-01-01

    La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for O = to or less than 0.3 and in the temperature range 1.6 + 450 K are analyzed in terms of Cu(++) magnetic correlations and dynamics. It is described how the magnetic correlations that would result from Cu-Cu exchange are reduced by mobile charge defects related to x-doping. A comprehensive picture is given which explains satisfactorily the x and T dependence of the correlation time, of the correlation length and of the Neel temperature T(sub n)(x) as well as being consistent with known electrical resistivity and magnetic susceptibility measurements. It is discussed how, in the superconducting samples, the mobile defects also cause the decrease, for T yields T(sub c)(+) of the hyperfine Cu electron-nucleus effective interaction, leading to the coexistence of quasi-localized, reduced magnetic moments from 3d Cu electrons and mobile oxygen p-hole carriers. The temperature dependence of the effective hyperfine field around the superconducting transition yields an activation energy which could be related to the pairing energy. New specific heat measurements are also presented and discussed in terms of the above picture.

  9. Isotope effect on the temperature dependence of the 35Cl NQR frequency in (NH4)2RuCl6

    NASA Astrophysics Data System (ADS)

    Kume, Yoshio; Amino, Daiki; Asaji, Tetsuo

    2013-07-01

    The 35Cl nuclear quadrupole resonance frequencies and spin-lattice relaxation times for (NH4)2RuCl6, (ND4)2RuCl6, (NH4)2SnCl6, and (ND4)2SnCl6 were measured in the temperature range 4.2-300 K. In these four compounds, it was confirmed that no phase transition occurs in the observed temperature range. At 4.2 K, discrepancies of the NQR frequency between non-deuterated and deuterated compounds, which are attributed to the difference in the spatial distributions of hydrogen (deuterium) atoms in the ground states of the rotational motion of ammonium ion, reached to 24 kHz and 23 kHz for the ruthenate compounds and the stannate compounds, respectively. The separation between the ground and the first excited states of the rotational motion of the ammonium ion was estimated to be 466 J mol-1 and 840 J mol-1 for (ND4)2RuCl6 and (NH4)2RuCl6, respectively, by least-square fitting calculations of temperature dependence of the NQR frequency. For (ND4)2SnCl6 and (NH4)2SnCl6, these quantities were estimated to be 501 J mol-1 and 1544 J mol-1, respectively. It was clarified that the T1 minimum, which has been observed for the stannate compounds at around 60 K as a feature of the temperature dependence, was dependent on a method of sample preparation. It is concluded that the minimum is not an essential character of the ammonium hexachlorostannate(IV) since the crystals prepared in strong acid condition to prevent a partial substitution of chlorine atoms by hydroxyl groups, did not show such T1 minimum.

  10. Characterization of solid phases and study of transformation kinetics in m-chlorofluorobenzene by 35Cl nuclear quadrupole resonance.

    PubMed

    Pérez, Silvina; Wolfenson, Alberto

    2012-02-01

    Polymorphism is of widespread occurrence in the world of molecular crystals. In this work we present experimental results showing the existence of four solid phases in m-chlorofluorobenzene. A glass structure is achieved by quenching the liquid phase at 77 K. This glassy state crystallizes in a disordered phase at T~143 K, which in turn transforms to the high-temperature stable phase (phase I) at T~153 K. Depending on the thermal history of the sample, a different ordered phase (phase III) can be obtained. The disorder is attributed to a molecular orientational disorder. There is no evidence of molecular reorientation in any phase. A study of the disorder-order phase transformation kinetics, using nuclear quadrupole resonance, is presented. The results are analyzed following Cahn's theory. Nucleation seems to take place at grain boundaries. Growth rates for different temperatures have been determined. PMID:22209621

  11. Electron density distribution in cladribine (2-chloro-2‧-deoxyadenosine) - A drug against leukemia and multiple sclerosis - Studied by multinuclear NQR spectroscopy and DFT calculations

    NASA Astrophysics Data System (ADS)

    Latosińska, J. N.; Latosińska, M.; Seliger, J.; Žagar, V.; Kazimierczuk, Z.

    2009-07-01

    2-Chloro-2'-deoxyadenosine (Cladribine) chemotherapeutic drug has been studied experimentally in solid state by 35Cl NQR and NMR-NQR double resonance and theoretically by the Density Functional Theory. Fifteen resonance frequencies on 14N have been detected and assigned to particular nitrogen sites in the 2-CdA molecule. The effects of tautomerism, regioisomerism, conformations and molecular aggregations, related to intermolecular hydrogen bond formation, on the NQR parameters have been analysed within the DFT and AIM ( Atoms in Molecules) formalism. The properties of the whole molecule, the so-called global reactivity descriptors, have been calculated for a comparison of both syn and anti conformations of 2-CdA molecule to check the effect of crystal packing on molecular conformation.

  12. Evidence for Unconventional Strong-Coupling Superconductivity in PrOs4Sb12: An Sb Nuclear Quadrupole Resonance Study

    NASA Astrophysics Data System (ADS)

    Kotegawa, H.; Yogi, M.; Imamura, Y.; Kawasaki, Y.; Zheng, G.-Q.; Kitaoka, Y.; Ohsaki, S.; Sugawara, H.; Aoki, Y.; Sato, H.

    2003-01-01

    We report Sb-NQR results which evidence a heavy-fermion (HF) behavior and an unconventional superconducting (SC) property in Pr(Os4Sb12 with Tc=1.85 K. The temperature (T) dependence of nuclear-spin-lattice-relaxation rate, 1/T1, and NQR frequency unravel a low-lying crystal-electric-field splitting below T0˜10 K, associated with Pr3+(4f2)-derived ground state. In the SC state, 1/T1 shows neither a coherence peak just below Tc K nor a T3-like power-law behavior observed for anisotropic HF superconductors with the line-node gap. The isotropic energy gap with its size Δ/kB=4.8 K seems to open up across Tc below T*˜2.3 K. It is surprising that Pr(Os4Sb12 looks like an isotropic HF superconductor—it may indeed argue for Cooper pairing via quadrupolar fluctuations.

  13. Crystallization and preliminary analysis of the NqrA and NqrC subunits of the Na+-translocating NADH:ubiquinone oxidoreductase from Vibrio cholerae

    PubMed Central

    Vohl, Georg; Nedielkov, Ruslan; Claussen, Björn; Casutt, Marco S.; Vorburger, Thomas; Diederichs, Kay; Möller, Heiko M.; Steuber, Julia; Fritz, Günter

    2014-01-01

    The Na+-translocating NADH:ubiquinone oxidoreductase (Na+-NQR) from Vibrio cholerae is a membrane protein complex consisting of six different subunits NqrA–NqrF. The major domains of the NqrA and NqrC subunits were heterologously expressed in Escherichia coli and crystallized. The structure of NqrA1–377 was solved in space groups C2221 and P21 by SAD phasing and molecular replacement at 1.9 and 2.1 Å resolution, respectively. NqrC devoid of the transmembrane helix was co-expressed with ApbE to insert the flavin mononucleotide group covalently attached to Thr225. The structure was determined by molecular replacement using apo-NqrC of Parabacteroides distasonis as search model at 1.8 Å resolution. PMID:25005105

  14. Detection of {sup 14}N and {sup 35}Cl in cocaine base and hydrochloride using NQR, NMR, and SQUID techniques

    SciTech Connect

    Yesinowski, J.P.; Buess, M.L.; Garroway, A.N.; Ziegeweid, M.; Pines, A. |

    1995-07-01

    Results from {sup 14}N pure NQR of cocaine in the free base form (cocaine base) yield a nuclear quadrupole coupling constant (NQCC) e{sup 2}Qq/h of 5.0229 ({+-}0.0001) MHz and an asymmetry parameter {eta} of 0.0395 ({+-}0.0001) at 295 K, with corresponding values of 5.0460 ({+-}0.0013) MHz and 0.0353 ({+-}0.0008) at 77 K. Both pure NQR (at 295-77 K) and a superconducting quantum interference device (SQUID) detector (at 4.2 K) were used to measure the very low (<1 MHz) {sup 14}N transition frequencies in cocaine hydrochloride; at 295 K the NQCC is 1.1780 ({+-}0.0014) MHz and the asymmetry parameter is 0.2632 ({+-}0.0034). Stepping the carrier frequency enables one to obtain a powder pattern without the severe intensity distortions that otherwise arise from finite pulse power. A powder pattern simulation using an NQCC value of 5.027 MHz and an asymmetry parameter {eta} of 0.2 agrees reasonably well with the experimental stepped-frequency spectrum. The use of pure NQR for providing nondestructive, quantitative, and highly specific detection of crystalline compounds is discussed, as are experimental strategies. 31 refs., 8 figs., 1 tab.

  15. Radio-frequency tunable atomic magnetometer for detection of solid-state NQR

    NASA Astrophysics Data System (ADS)

    Lee, S.-K.; Sauer, K. L.; Seltzer, S. J.; Alem, O.; Romalis, M. V.

    2007-06-01

    We constructed a potassium atomic magnetometer which resonantly detects rf magnetic fields with subfemtotesla sensitivity. The resonance frequency is set by the Zeeman resonance of the potassium atoms in a static magnetic field applied to the magnetometer cell. Strong optical pumping of the potassium atoms into a stretched state reduces spin-exchange broadening of the Zeeman resonance, resulting in relatively small linewidth of about 200 Hz (half-width at half-maximum). The magnetometer was used to detect ^14N NQR signal from powdered ammonium nitrate at 423 kHz, with sensitivity an order of magnitude higher than with a conventional room temperature pickup coil with comparable geometry. The demonstrated sensitivity of 0.24 fT/Hz^1/2 can be improved by several means, including use of higher power lasers for pumping and probing. Our technique can potentially be used to develop a mobile, open-access NQR spectrometer for detection of nitrogen-containing solids of interest in security applications.

  16. 63Cu NQR spectra of dicoordinated Cu(I) cations with imidazole and pyrazole ligands

    NASA Astrophysics Data System (ADS)

    Khajenhouri, Fereidoun; Motallebi, Shahrock; Lucken, Edwin A. C.

    1995-02-01

    The 63Cu NQR spectra of five dicoordinated complex cations of Cu(I) with substituted imidazoles as ligands and six analogous complexes with substituted pyrazoles as ligands are reported. The structures of four of these complexes have been previously determined and the relationship of their 63Cu resonance frequency to the average CuN bond length is compared to that of the analogous lutidine or collidine complexes. It is concluded that there are probably significant differences between the electronic structures of the pyridine complexes and those of the pyrazole or imidazole series.

  17. Site-directed mutagenesis of conserved cysteine residues in NqrD and NqrE subunits of Na+-translocating NADH:quinone oxidoreductase.

    PubMed

    Fadeeva, M S; Bertsova, Y V; Verkhovsky, M I; Bogachev, A V

    2008-02-01

    Each of two hydrophobic subunits of Na+-translocating NADH:quinone oxidoreductase (NQR), NqrD and NqrE, contain a pair of strictly conserved cysteine residues within their transmembrane alpha-helices. Site-directed mutagenesis showed that substitutions of these residues in NQR of Vibrio harveyi blocked the Na+-dependent and 2-n-heptyl-4-hydroxyquinoline N-oxide-sensitive quinone reductase activity of the enzyme. However, these mutations did not affect the interaction of NQR with NADH and menadione. It was demonstrated that these conserved cysteine residues are necessary for the correct folding and/or the stability of the NQR complex. Mass and EPR spectroscopy showed that NQR from V. harveyi bears only a 2Fe-2S cluster as a metal-containing prosthetic group. PMID:18298367

  18. I: Low Frequency NMR and NQR Using a dc SQUID. II: Variable-temperature 13C CP/MAS of Organometallics

    SciTech Connect

    Ziegeweid, M.A.

    1995-11-29

    NMR and NQR at low frequencies are difficult prospects due to small nuclear spin polarization. Furthermore, the sensitivity'of the inductive pickup circuitry of standard spectrometers is reduced as the frequency is lowered. I have used a cw-SQUID (Superconducting QUantum Interference Device) spectrometer, which has no such frequency dependence, to study the local atomic environment of {sup 14}N via the quadrupolar interaction. Because {sup 14}N has spin I = 1 and a 0-6 MHz frequency range, it is not possible to obtain well-resolved spectra in high magnetic fields. I have used a technique to observe {sup 14}N NQR resonances via their effect on neighboring protons mediated by the heteronuclear dipolar interaction to study peptides and narcotics. The sensitivity of the SQUID is not enough to measure low-frequency surface (or other low spin density) systems. The application of spin-polarized xenon has been previously used to enhance polarization in conventional NMR experiments. Because xenon only polarizes spins with which it is in contact, it is surface selective. While differences in chemical shifts between surface and bulk spins are not large, it is expected that the differences in quadrupole coupling constant should be very large due to the drastic change of the electric field gradient surrounding spins at the surface. With this in mind, I have taken preliminary steps to measure SQUID detected polarization transfer from Xe to another spin species at 4.2 K and in small magnetic fields (<50 G). In this regime, the spin-lattice relaxation of xenon is dependent on the applied magnetic field. The results of our efforts to characterize the relaxation of xenon are presented. The final section describes the solid-state variable-temperature (VT) one- and two-dimensional {sup 13}C cross polarization (CP)/magic angle spinning (MAS) NMR of Hf({eta}{sup 5}-C{sub 5}H{sub 5}){sub 2}({eta}{sup 1}-C{sub 5}H{sub 5}){sub 2}, Zr({eta}{sup 5}-C{sub 5}H{sub 5}){sub 3}({eta}{sup 1}-C

  19. Simultaneous and Direct Measurement of the Neutron - Branching Ratio of URANIUM-238 in the Region of the Giant Quadrupole Resonance.

    NASA Astrophysics Data System (ADS)

    Countryman, Peter John

    We have measured the coincidence cross-sections ^{238}U(alpha, alpha'{rm n| f} ) and ^{238}U( alpha,alpha'f), and inclusive cross-sections ^{238} U(alpha,alpha') using the 120 MeV alpha particle beam at the Lawrence Berkeley Laboratory's 88-Inch Cyclotron. The (alpha, alpha'{rm n| f} ) experiment simultaneously measured the cross-sections for ^{238}U(alpha, alpha'f) and ^{238 }U(alpha,alpha' {rm n| f}) at theta _{alpha'} ~ 17^circ, a local maximum for the angular distributions of the isoscalar giant quadrupole and monopole resonances (GQ_0R and GM _0R). The branching ratio Gamma _{rm n}/Gamma_{ rm f} obtained from this experiment is therefore not subject to many of the systematic errors which go into the individual cross-sections. The energy of the scattered alpha-particle (E _{alpha'}) and the neutron time-of-flight were measured for each event. Fission events were detected using a large solid-angle array, so that the fission neutrons could be removed from the neutron decay spectra. This enabled us to make the first measurement of the neutron decay from an actinide nucleus. Inelastic scattering cross-sections are presented for the range of excitation energy from 0. to 20. MeV. In a separate experiment, the cross-section {rm d^2sigma(alpha,alpha 'rm f)}over {rm d Omega_{alpha'}{dE}_{alpha'} } was measured for uranium at seven scattering angles in the range theta_{alpha '} = 7^circ -21^{circ}. We extracted the transition strength as a function of excitation energy for the GQ_0R and GM _0R. In (alpha,alpha 'f), we find 25% of the L = 2 energy-weighted sum-rule (from 8 to 12 MeV), and 50% of the L = 0 sum-rule (12 to 16 MeV). The strength agrees well with a recent (e,e^'f) experiment. We used the strengths extracted from the ( alpha,alpha'f) experiment along with the (alpha,alpha' {n| f}) data to place limits on (Gamma_{rm n }/Gamma_{rm f}) _{rm GQR} and ( Gamma_{rm n}/Gamma_ {rm f})_{rm GMR}. We obtained (Gamma_ {rm n}/Gamma_{rm f})_{rm GQR} = 6 +/- 4 (statistical

  20. Single crystal zeeman effect studies on 35Cl NQR lines of 2,6-dichlorophenol

    NASA Astrophysics Data System (ADS)

    Prasad, N. V. L. N.; Venkatacharyulu, P.; Premaswarup, D.

    1987-10-01

    Zeeman effect studies on the two 35Cl NQR lines in cylindrical single crystals of 2,6-dichlorophenol were carried out using a self-quenched super-regenerative NQR spectrometer to obtain information on the nature of the crystalline unit cell and the effect of hydrogen bonding on the electric field gradient tensor. Analysis of the experimental data reveals: (1) the results are in good agreement with those reported from X-ray studies; (2) the crystal is unequivocally identified as belonging to the orthorhombic system; (3) there are two crystallographically equivalent and four physically nonequivalent directions for the principal field gradients for both the low and high frequency resonance lines; (4) the directions of the crystalline a, b, c axes are uniquely identified as (90°, 0°), (0°, -), and (90°, 90°); (5) the b-axis is identified as the growth axis; (6) there are a minimum of four molecules per unit cell, the four molecules lie in different planes, which are, however, connected by symmetry operations; (7)_there exists a weak intramolecular hydrogen bonding in the crystal; (8) the asymmetry parameters for the loci corresponding to the low frequency resonance line, which is affected by hydrogen bonding, are less than the asymmetry parameters of the loci corresponding to the high frequency resonance line, which is not affected by hydrogen bonding; (9) the single bond and ionic bond characters for the hish frequency line are less than that of the low frequency line, while the double bond character for the low frequency line is less than that of the high frequency line and (10) the small deviation between the single bond and double bond characters of the two resonance lines is attributed to the existence of weak hydrogen bonding in the crystal.

  1. NqrM (DUF539) Protein Is Required for Maturation of Bacterial Na+-Translocating NADH:Quinone Oxidoreductase

    PubMed Central

    Kostyrko, Vitaly A.; Bertsova, Yulia V.; Serebryakova, Marina V.; Baykov, Alexander A.

    2015-01-01

    ABSTRACT Na+-translocating NADH:quinone oxidoreductase (Na+-NQR) catalyzes electron transfer from NADH to ubiquinone in the bacterial respiratory chain, coupled with Na+ translocation across the membrane. Na+-NQR maturation involves covalent attachment of flavin mononucleotide (FMN) residues, catalyzed by flavin transferase encoded by the nqr-associated apbE gene. Analysis of complete bacterial genomes has revealed another putative gene (duf539, here renamed nqrM) that usually follows the apbE gene and is present only in Na+-NQR-containing bacteria. Expression of the Vibrio harveyi nqr operon alone or with the associated apbE gene in Escherichia coli, which lacks its own Na+-NQR, resulted in an enzyme incapable of Na+-dependent NADH or reduced nicotinamide hypoxanthine dinucleotide (dNADH) oxidation. However, fully functional Na+-NQR was restored when these genes were coexpressed with the V. harveyi nqrM gene. Furthermore, nqrM lesions in Klebsiella pneumoniae and V. harveyi prevented production of functional Na+-NQR, which could be recovered by an nqrM-containing plasmid. The Na+-NQR complex isolated from the nqrM-deficient strain of V. harveyi lacks several subunits, indicating that nqrM is necessary for Na+-NQR assembly. The protein product of the nqrM gene, NqrM, contains a single putative transmembrane α-helix and four conserved Cys residues. Mutating one of these residues (Cys33 in V. harveyi NqrM) to Ser completely prevented Na+-NQR maturation, whereas mutating any other Cys residue only decreased the yield of the mature protein. These findings identify NqrM as the second specific maturation factor of Na+-NQR in proteobacteria, which is presumably involved in the delivery of Fe to form the (Cys)4[Fe] center between subunits NqrD and NqrE. IMPORTANCE Na+-translocating NADH:quinone oxidoreductase complex (Na+-NQR) is a unique primary Na+ pump believed to enhance the vitality of many bacteria, including important pathogens such as Vibrio cholerae, Vibrio

  2. Theory of X-ray absorption and resonant X-ray emission spectra by electric quadrupole excitation in light rare-earth systems

    NASA Astrophysics Data System (ADS)

    Nakazawa, M.; Fukui, K.; Kotani, A.

    2003-02-01

    We have made precise theoretical calculations for both 2 p3/2→4 f X-ray absorption spectroscopy (XAS) and 4 d→2 p3/2 resonant X-ray emission spectroscopy (RXES) by electric quadrupole excitations at the L3 edge of light rare-earth elements, by means of atomic model with full multiplet effects. The calculation is based on the second-order optical formula, and the effect of the incident photon polarization is taken into account. It is shown that the 4 d-4 f interaction plays a more important role in 4 d→2 p3/2 RXES than the 4 f-4 f interaction does. Moreover, the calculated results of 4 d→2 p3/2 RXES show the strong polarization dependence, and it is originated from the spin multiplicity, which is derived from the 4 d-4 f interaction, of the RXES final states.

  3. Detection of an unconventional superconducting phase in the vicinity of the strong first-order magnetic transition in CrAs using (75)As-nuclear quadrupole resonance.

    PubMed

    Kotegawa, Hisashi; Nakahara, Shingo; Akamatsu, Rui; Tou, Hideki; Sugawara, Hitoshi; Harima, Hisatomo

    2015-03-20

    Pressure-induced superconductivity was recently discovered in the binary helimagnet CrAs. We report the results of measurements of nuclear quadrupole resonance for CrAs under pressure. In the vicinity of the critical pressure P(c) between the helimagnetic (HM) and paramagnetic (PM) phases, a phase separation is observed. The large internal field remaining in the phase-separated HM state indicates that the HM phase disappears through a strong first-order transition. This indicates the absence of a quantum critical point in CrAs; however, the nuclear spin-lattice relaxation rate 1/T(1) reveals that substantial magnetic fluctuations are present in the PM state. The absence of a coherence effect in 1/T(1) in the superconducting state provides evidence that CrAs is the first Cr-based unconventional superconductor. PMID:25839303

  4. The single NqrB and NqrC subunits in the Na(+)-translocating NADH: quinone oxidoreductase (Na(+)-NQR) from Vibrio cholerae each carry one covalently attached FMN.

    PubMed

    Casutt, Marco S; Schlosser, Andreas; Buckel, Wolfgang; Steuber, Julia

    2012-10-01

    The Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR) is the prototype of a novel class of flavoproteins carrying a riboflavin phosphate bound to serine or threonine by a phosphodiester bond to the ribityl side chain. This membrane-bound, respiratory complex also contains one non-covalently bound FAD, one non-covalently bound riboflavin, ubiquinone-8 and a [2Fe-2S] cluster. Here, we report the quantitative analysis of the full set of flavin cofactors in the Na(+)-NQR and characterize the mode of linkage of the riboflavin phosphate to the membrane-bound NqrB and NqrC subunits. Release of the flavin by β-elimination and analysis of the cofactor demonstrates that the phosphate group is attached at the 5'-position of the ribityl as in authentic FMN and that the Na(+)-NQR contains approximately 1.7mol covalently bound FMN per mol non-covalently bound FAD. Therefore, each of the single NqrB and NqrC subunits in the Na(+)-NQR carries a single FMN. Elimination of the phosphodiester bond yields a dehydro-2-aminobutyrate residue, which is modified with β-mercaptoethanol by Michael addition. Proteolytic digestion followed by mass determination of peptide fragments reveals exclusive modification of threonine residues, which carry FMN in the native enzyme. The described reactions allow quantification and localization of the covalently attached FMNs in the Na(+)-NQR and in related proteins belonging to the Rhodobacter nitrogen fixation (RNF) family of enzymes. This article is part of a Special Issue entitled: 17th European Bioenergetics Conference (EBEC 2012). PMID:22366169

  5. NQR-NMR studies of higher alcohol synthesis Cu-Co catalysts

    SciTech Connect

    Not Available

    1991-12-17

    The primary objective of the project is to examine the relations between the catalytic and magnetic properties of the copper-cobalt higher alcohol synthesis catalysts. We have undertaken to investigate the magnetic character by studying the Nuclear Quadrupole resonance of copper and (Zerofield) Nuclear Magnetic Resonance of cobalt in copper cobalt catalysts.

  6. Chemical structure and intra-molecular effects on NMR-NQR tensors of harmine and harmaline alkaloids

    NASA Astrophysics Data System (ADS)

    Ahmadinejad, Neda; Tahan, Arezoo; Talebi Tari, Mostafa

    2016-02-01

    Density functional theory (DFT) methods were used to analyze the effects of molecular structure and ring currents on the NMR chemical shielding tensors and NQR frequencies of harmine and harmaline alkaloids in the gas phase. The results demonstrated that NMR tensors and NQR frequencies of 15N nuclei in these compounds depend on chemical environment and resonance interactions. Hence, their values are obviously different in the mentioned structures. The interpretation of natural bond orbital (NBO) data suggests that in harmine structure, the lone pair participation of N9 in π-system electron clouds causes to development of aromaticity nature in pyrrole ring. However, the chemical shielding around N9 atom in harmine structure is higher than in harmaline, while in harmaline structure, lone pair participation of N2 in π-system electron clouds causes to development of aromaticity nature in pyridine ring. Hence, chemical shielding around N2 atom in harmaline structure is higher than in harmine. It can be deduced that by increasing lone pair electrons contribution of nitrogen atoms in ring resonance interactions and aromaticity development, the values of NMR chemical shielding around them increase, while χ and q zz values of these nuclei decrease.

  7. Radiofrequency quadrupole accelerators and their applications

    SciTech Connect

    Stokes, R.H.; Wangler, T.P.

    1988-01-01

    This review of Radiofrequency Quadrupole (RFQ) Acelerators contains a short history of Soviet and Los Alamos RFQ developments, RFQ beam dynamics, resonator structures, and the characteristics and performance of RFQ accelerators. (AIP)

  8. Nuclear magnetic resonance experiments with dc SQUID amplifiers

    SciTech Connect

    Heaney, M.B. . Dept. of Physics Lawrence Berkeley Lab., CA )

    1990-11-01

    The development and fabrication of dc SQUIDs (Superconducting QUantum Interference Devices) with Nb/Al{sub 2}O{sub 3}/Nb Josephson junctions is described. A theory of the dc SQUID as a radio-frequency amplifier is presented, with an optimization strategy that accounts for the loading and noise contributions of the postamplifier and maximizes the signal-to-noise ratio of the total system. The high sensitivity of the dc SQUID is extended to high field NMR. A dc SQUID is used as a tuned radio-frequency amplifier to detect pulsed nuclear magnetic resonance at 32 MHz from a metal film in a 3.5 Tesla static field. A total system noise temperature of 11 K has been achieved, at a bath temperature of 4.2 K. The minimum number of nuclear Bohr magnetons observable from a free precession signal after a single pulse is about 2 {times} 10{sup 17} in a bandwidth of 25 kHz. In a separate experiment, a dc SQUID is used as a rf amplifier in a NQR experiment to observe a new resonance response mechanism. The net electric polarization of a NaClO{sub 3} crystal due to the precessing electric quadrupole moments of the Cl nuclei is detected at 30 MHz. The sensitivity of NMR and NQR spectrometers using dc SQUID amplifiers is compared to the sensitivity of spectrometers using conventional rf amplifiers. A SQUID-based spectrometer has a voltage sensitivity which is comparable to the best achieved by a FET-based spectrometer, at these temperatures and operating frequencies.

  9. (14)N NQR, relaxation and molecular dynamics of the explosive TNT.

    PubMed

    Smith, John A S; Rowe, Michael D; Althoefer, Kaspar; Peirson, Neil F; Barras, Jamie

    2015-10-01

    Multiple pulse sequences are widely used for signal enhancement in NQR detection applications. Since the various (14)N NQR relaxation times, signal decay times and frequency of each NQR line have a major influence on detection sequence performance, it is important to characterise these parameters and their temperature variation, as fully as possible. In this paper we discuss such measurements for a number of the ν+ and ν- NQR lines of monoclinic and orthorhombic TNT and relate the temperature variation results to molecular dynamics. The temperature variation of the (14)N spin-lattice relaxation times T1 is interpreted as due to hindered rotation of the NO2 group about the C-NO2 bond with an activation energy of 89 kJ mol(-1) for the ortho and para groups of monoclinic TNT and 70 kJ mol(-1) for the para group of orthorhombic TNT. PMID:26440130

  10. 35C NQR studies in 2,4,6-,2,3,6-, and 2,3,4-trichloro anisoles

    NASA Astrophysics Data System (ADS)

    Rukmani, K.; Ramakrishna, J.

    1985-02-01

    The chlorine-35 NQR frequencies and their temperature variation in 2,4,6-, 2,3,6- and 2,3,4-trichloro anisoles have been studied and compared with the corresponding chlorophenols with a view to studying the effect of hydrogen bonding. The observed frequencies have been assigned to the various chlorines with the help of the additive model of the substituent effect. The temperature dependence has been analysed in terms of the Bayer—Kushida—Brown models. The torsional frequencies and their temperature dependence have been calculated numerically under a two mode approximation. A comparison of the trichloro anisoles with the corresponding trichloro phenols has shown that the resonance frequency decreases due to hydrogen bonding while the torsional frequencies are not affected.

  11. Studies of Ga NMR and NQR in SrGa4

    NASA Astrophysics Data System (ADS)

    Niki, H.; Higa, N.; Nakamura, S.; Kuroshima, H.; Toji, T.; Yogi, M.; Nakamura, A.; Hedo, M.; Nakama, T.; Ōnuki, Y.; Harima, H.

    2015-04-01

    In order to microscopically investigate the properties in SrGa4, the Ga NMR measurements of a powder sample were carried out. The Ga NMR spectra corresponding to Ga(I) and Ga(II) sites are obtained. The NMR spectra of 69&71Ga (a nuclear spin I = 3/2) in the powder sample of SrGa4 do not take a typical powder pattern caused by the NQR interaction, but take the spectra consisting of three well resolved resonance-lines, which indicates that the nonuniform distribution of crystal orientation in the powder sample occurs because of the magnetic anisotropy. From the analysis of the Ga NMR spectrum, it is found that the ab-plane of the crystal is parallel to the external magnetic field, which would be attributed to the anisotropy of the magnetic susceptibility with the easy axis parallel to the ab-plane. This result is also confirmed by the 69Ga NQR in SrGa4. The Knight shifts of the 69Ga(I) and 69Ga(II) shift slightly to the negative side with decreasing temperature due to the core polarization of the d-electrons. The values of the Knight shift of the 69Ga(I) and 69Ga(II) are 0.01 and -0.11 % at 4.2 K, and 0.09 and -0.08 % at 300 K, respectively. The values of the 1/ T 1 T of the NMR of both 69Ga(I) and 69Ga(II) are almost constant between 4.2 and 100 K, whose values are 1.5 s -1 K -1 at 69Ga(I) and 0.12 s -1 K -1 at 69Ga(II), while the 1/ T 1 T slightly increase above 100K with increasing temperature. The value of T 1 of 69Ga(I) is one order of magnitude less than that of 69Ga(II).

  12. Localization and Function of the Membrane-bound Riboflavin in the Na+-translocating NADH:Quinone Oxidoreductase (Na+-NQR) from Vibrio cholerae*

    PubMed Central

    Casutt, Marco S.; Huber, Tamara; Brunisholz, René; Tao, Minli; Fritz, Günter; Steuber, Julia

    2010-01-01

    The sodium ion-translocating NADH:quinone oxidoreductase (Na+-NQR) from the human pathogen Vibrio cholerae is a respiratory membrane protein complex that couples the oxidation of NADH to the transport of Na+ across the bacterial membrane. The Na+-NQR comprises the six subunits NqrABCDEF, but the stoichiometry and arrangement of these subunits are unknown. Redox-active cofactors are FAD and a 2Fe-2S cluster on NqrF, covalently attached FMNs on NqrB and NqrC, and riboflavin and ubiquinone-8 with unknown localization in the complex. By analyzing the cofactor content and NADH oxidation activity of subcomplexes of the Na+-NQR lacking individual subunits, the riboflavin cofactor was unequivocally assigned to the membrane-bound NqrB subunit. Quantitative analysis of the N-terminal amino acids of the holo-complex revealed that NqrB is present in a single copy in the holo-complex. It is concluded that the hydrophobic NqrB harbors one riboflavin in addition to its covalently attached FMN. The catalytic role of two flavins in subunit NqrB during the reduction of ubiquinone to ubiquinol by the Na+-NQR is discussed. PMID:20558724

  13. Molecular near-field antenna effect in resonance hyper-Raman scattering: intermolecular vibronic intensity borrowing of solvent from solute through dipole-dipole and dipole-quadrupole interactions.

    PubMed

    Shimada, Rintaro; Hamaguchi, Hiro-o

    2014-05-28

    We quantitatively interpret the recently discovered intriguing phenomenon related to resonance Hyper-Raman (HR) scattering. In resonance HR spectra of all-trans-β-carotene (β-carotene) in solution, vibrations of proximate solvent molecules are observed concomitantly with the solute β-carotene HR bands. It has been shown that these solvent bands are subject to marked intensity enhancements by more than 5 orders of magnitude under the presence of β-carotene. We have called this phenomenon the molecular-near field effect. Resonance HR spectra of β-carotene in benzene, deuterated benzene, cyclohexane, and deuterated cyclohexane have been measured precisely for a quantitative analysis of this effect. The assignments of the observed peaks are made by referring to the infrared, Raman, and HR spectra of neat solvents. It has been revealed that infrared active and some Raman active vibrations are active in the HR molecular near-field effect. The observed spectra in the form of difference spectra (between benzene/deuterated benzene and cyclohexane/deuterated cyclohexane) are quantitatively analyzed on the basis of the extended vibronic theory of resonance HR scattering. The theory incorporates the coupling of excited electronic states of β-carotene with the vibrations of a proximate solvent molecule through solute-solvent dipole-dipole and dipole-quadrupole interactions. It is shown that the infrared active modes arise from the dipole-dipole interaction, whereas Raman active modes from the dipole-quadrupole interaction. It is also shown that vibrations that give strongly polarized Raman bands are weak in the HR molecular near-field effect. The observed solvent HR spectra are simulated with the help of quantum chemical calculations for various orientations and distances of a solvent molecule with respect to the solute. The observed spectra are best simulated with random orientations of the solvent molecule at an intermolecular distance of 10 Å. PMID:24880300

  14. Molecular near-field antenna effect in resonance hyper-Raman scattering: Intermolecular vibronic intensity borrowing of solvent from solute through dipole-dipole and dipole-quadrupole interactions

    SciTech Connect

    Shimada, Rintaro; Hamaguchi, Hiro-o

    2014-05-28

    We quantitatively interpret the recently discovered intriguing phenomenon related to resonance Hyper-Raman (HR) scattering. In resonance HR spectra of all-trans-β-carotene (β-carotene) in solution, vibrations of proximate solvent molecules are observed concomitantly with the solute β-carotene HR bands. It has been shown that these solvent bands are subject to marked intensity enhancements by more than 5 orders of magnitude under the presence of β-carotene. We have called this phenomenon the molecular-near field effect. Resonance HR spectra of β-carotene in benzene, deuterated benzene, cyclohexane, and deuterated cyclohexane have been measured precisely for a quantitative analysis of this effect. The assignments of the observed peaks are made by referring to the infrared, Raman, and HR spectra of neat solvents. It has been revealed that infrared active and some Raman active vibrations are active in the HR molecular near-field effect. The observed spectra in the form of difference spectra (between benzene/deuterated benzene and cyclohexane/deuterated cyclohexane) are quantitatively analyzed on the basis of the extended vibronic theory of resonance HR scattering. The theory incorporates the coupling of excited electronic states of β-carotene with the vibrations of a proximate solvent molecule through solute–solvent dipole–dipole and dipole–quadrupole interactions. It is shown that the infrared active modes arise from the dipole–dipole interaction, whereas Raman active modes from the dipole–quadrupole interaction. It is also shown that vibrations that give strongly polarized Raman bands are weak in the HR molecular near-field effect. The observed solvent HR spectra are simulated with the help of quantum chemical calculations for various orientations and distances of a solvent molecule with respect to the solute. The observed spectra are best simulated with random orientations of the solvent molecule at an intermolecular distance of 10 Å.

  15. Nuclear-quadrupole optical hole burning in the stoichiometric material EuP5O14.

    PubMed

    Macfarlane, R M; Shelby, R M; Genack, A Z; Weitz, D A

    1980-11-01

    Hole burning, which is attributed to optical pumping of nuclear-quadrupole levels, has been observed in the stoichiometric rare-earth compound, EuP5O14 . The long lifetime of these holes (-60 min) implies slow nuclear-spin flip-flop rates. The small magnetic moment of Eu3+ has prevented conventional magnetic-resonance measurements on Eu3+ compounds, but hole burning provides a sensitive method for the optical detection of nuclear-magnetic resonance and nuclear-quadrupole resonance. We have used hole burning and optically detected nuclear-quadrupole resonance to determine quadrupole splittings in the ground (7Fo) and excited (5Do) states. PMID:19701271

  16. Superconducting magnetic quadrupole

    SciTech Connect

    Kim, J.W.; Shepard, K.W.; Nolen, J.A.

    1995-08-01

    A design was developed for a 350 T/m, 2.6-cm clear aperture superconducting quadrupole focussing element for use in a very low q/m superconducting linac as discussed below. The quadrupole incorporates holmium pole tips, and a rectangular-section winding using standard commercially-available Nb-Ti wire. The magnet was modeled numerically using both 2D and 3D codes, as a basis for numerical ray tracing using the quadrupole as a linac element. Components for a prototype singlet are being procured during FY 1995.

  17. The Conformational Changes Induced by Ubiquinone Binding in the Na+-pumping NADH:Ubiquinone Oxidoreductase (Na+-NQR) Are Kinetically Controlled by Conserved Glycines 140 and 141 of the NqrB Subunit*

    PubMed Central

    Strickland, Madeleine; Juárez, Oscar; Neehaul, Yashvin; Cook, Darcie A.; Barquera, Blanca; Hellwig, Petra

    2014-01-01

    Na+-pumping NADH:ubiquinone oxidoreductase (Na+-NQR) is responsible for maintaining a sodium gradient across the inner bacterial membrane. This respiratory enzyme, which couples sodium pumping to the electron transfer between NADH and ubiquinone, is not present in eukaryotes and as such could be a target for antibiotics. In this paper it is shown that the site of ubiquinone reduction is conformationally coupled to the NqrB subunit, which also hosts the final cofactor in the electron transport chain, riboflavin. Previous work showed that mutations in conserved NqrB glycine residues 140 and 141 affect ubiquinone reduction and the proper functioning of the sodium pump. Surprisingly, these mutants did not affect the dissociation constant of ubiquinone or its analog HQNO (2-n-heptyl-4-hydroxyquinoline N-oxide) from Na+-NQR, which indicates that these residues do not participate directly in the ubiquinone binding site but probably control its accessibility. Indeed, redox-induced difference spectroscopy showed that these mutations prevented the conformational change involved in ubiquinone binding but did not modify the signals corresponding to bound ubiquinone. Moreover, data are presented that demonstrate the NqrA subunit is able to bind ubiquinone but with a low non-catalytically relevant affinity. It is also suggested that Na+-NQR contains a single catalytic ubiquinone binding site and a second site that can bind ubiquinone but is not active. PMID:25006248

  18. Temperature variation of ultralow frequency modes and mean square displacements in solid lasamide (diuretic drug) studied by 35Cl-NQR, X-ray and DFT/QTAIM.

    PubMed

    Latosińska, Jolanta Natalia; Latosińska, Magdalena; Kasprzak, Jerzy; Tomczak, Magdalena; Maurin, Jan Krzysztof

    2012-10-25

    The application of combined (35)Cl-NQR/X-ray/DFT/QTAIM methods to study the temperature variation of anisotropic displacement parameters and ultralow frequency modes of anharmonic torsional vibrations in the solid state is illustrated on the example of 2,4-dichloro-5-sulfamolybenzoic acid (lasamide, DSBA) which is a diuretic and an intermediate in the synthesis of furosemide and thus its common impurity. The crystallographic structure of lasamide is solved by X-ray diffraction and refined to a final R-factor of 3.06% at room temperature. Lasamide is found to crystallize in the triclinic space group P-1, with two equivalent molecules in the unit cell a = 7.5984(3) Å, b = 8.3158(3) Å, c = 8.6892(3) Å; α = 81.212(3)°, β = 73.799(3)°, γ = 67.599(3)°. Its molecules form symmetric dimers linked by two short and linear intermolecular hydrogen bonds O-H···O (O-H···O = 2.648 Å and ∠OHO = 171.5°), which are further linked by weaker and longer intermolecular hydrogen bonds N-H···O (N-H···O = 2.965 Å and ∠NHO = 166.4°). Two (35)Cl-NQR resonance frequencies, 36.899 and 37.129 MHz, revealed at room temperature are assigned to chlorine sites at the ortho and para positions, relative to the carboxyl functional group, respectively. The difference in C-Cl(1) and C-Cl(2) bond lengths only slightly affects the value of (35)Cl-NQR frequencies, which results mainly from chemical inequivalence of chlorine atoms but also involvement in different intermolecular interactions pattern. The smooth decrease in both (35)Cl-NQR frequencies with increasing temperature in the range of 77-300 K testifies to the averaging of EFG tensor at each chlorine site due to anharmonic torsional vibrations. Lasamide is thermally stable; no temperature-induced release of chlorine or decomposition of this compound is detected. The temperature dependence of ultralow frequency modes of anharmonic small-angle internal torsional vibrations averaging EFG tensor and mean square angle

  19. Spin dynamics in CuO and Cu[sub 1[minus][ital x

    SciTech Connect

    Carretta, P.; Corti, M.; Rigamonti, A. )

    1993-08-01

    [sup 63]Cu nuclear quadrupole resonance (NQR), nuclear antiferromagnetic resonance (AFNMR), and spin-lattice relaxation, as well as [sup 7]Li NMR and relaxation measurements in CuO and in Cu[sub 1[minus][ital x

  20. Pulsed Fourier-transform NQR of 14N with a dc SQUID

    NASA Astrophysics Data System (ADS)

    Hürlimann, M. D.; Pennington, C. H.; Fan, N. Q.; Clarke, John; Pines, A.; Hahn, E. L.

    1992-07-01

    The zero-field free induction decay of solid ammonium perchlorate at 1.5 K has been directly detected with a dc superconducting quantum interference device. The Fourier-transform spectrum consists of three sharp lines at 17.4, 38.8, and 56.2 kHz arising from pure 14N nuclear quadrupole resonance transitions. The absence of splittings and resonance transitions from dipolar-coupled proton spins is attributed to reorientation of the ammonium groups by quantum tunneling in combination with motional averaging in the three proton levels characterized by the irreducible representation T. The measured 14N spin-spin relaxation time is 22+/-2 ms and the spin-lattice relaxation time is 63+/-6 ms.

  1. The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole

    SciTech Connect

    Rodrigues, G. Kanjilal, D.; Roy, A.; Becker, R.; Baskaran, R.

    2014-02-15

    The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged {sup 238}U{sup 40+} (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

  2. The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole.

    PubMed

    Rodrigues, G; Becker, R; Hamm, R W; Baskaran, R; Kanjilal, D; Roy, A

    2014-02-01

    The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged (238)U(40+) (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam. PMID:24593474

  3. The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole

    NASA Astrophysics Data System (ADS)

    Rodrigues, G.; Becker, R.; Hamm, R. W.; Baskaran, R.; Kanjilal, D.; Roy, A.

    2014-02-01

    The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged 238U40+ (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

  4. NQR-NMR studies of higher alcohol synthesis Cu-Co catalysts. Quarterly technical progress report, June 15--September 15, 1991

    SciTech Connect

    Not Available

    1991-12-17

    The primary objective of the project is to examine the relations between the catalytic and magnetic properties of the copper-cobalt higher alcohol synthesis catalysts. We have undertaken to investigate the magnetic character by studying the Nuclear Quadrupole resonance of copper and (Zerofield) Nuclear Magnetic Resonance of cobalt in copper cobalt catalysts.

  5. Correcting Quadrupole Roll in Magnetic Lenses with Skew Quadrupoles

    SciTech Connect

    Walstrom, Peter Lowell

    2014-11-10

    Quadrupole rolls (i.e. rotation around the magnet axis) are known to be a significant source of image blurring in magnetic quadrupole lenses. These rolls may be caused by errors in mechanical mounting of quadrupoles, by uneven radiation-induced demagnetization of permanent-magnet quadrupoles, etc. Here a four-quadrupole ×10 lens with so-called ”Russian” or A -B B-A symmetry is used as a model problem. Existing SLAC 1/2 in. bore high-gradient quadrupoles are used in the design. The dominant quadrupole roll effect is changes in the first-order part of the transfer map (the R matrix) from the object to the image plane (Note effects on the R matrix can be of first order in rotation angle for some R-matrix elements and second order in rotation angle for other elements, as shown below). It is possible to correct roll-induced image blur by mechanically adjusting the roll angle of one or more of the quadrupoles. Usually, rotation of one quadrupole is sufficient to correct most of the combined effect of rolls in all four quadrupoles. There are drawbacks to this approach, however, since mechanical roll correction requires multiple entries into experimental area to make the adjustments, which are made according to their effect on images. An alternative is to use a single electromagnetic skew quadrupole corrector placed either between two of the quadrupoles or after the fourth quadrupole (so-called “non-local” correction). The basic feasibility of skew quadrupole correction of quadrupole roll effects is demonstrated here. Rolls of the third lens quadrupole of up to about 1 milliradian can be corrected with a 15 cm long skew quadrupole with a gradient of up to 1 T/m. Since the effect of rolls of the remaining three lens quadrupoles are lower, a weaker skew quadrupole can be used to correct them. Non-local correction of quadrupole roll effects by skew quadrupoles is shown to be about one-half as effective as local correction (i.e. rotating individual quadrupoles to zero

  6. NQR application to the study of hydrogen dynamics in hydrogen-bonded molecular dimers

    NASA Astrophysics Data System (ADS)

    Asaji, Tetsuo

    2016-12-01

    The temperature dependences of 1H NMR as well as 35Cl NQR spin-lattice relaxation times T 1 were investigated in order to study the hydrogen transfer dynamics in carboxylic acid dimers in 3,5-dichloro- and 2,6-dichlorobenzoic acids. The asymmetry energy A/ k B and the activation energy V/ k B for the hydrogen transfer were estimated to be 240 K and 900 K, and 840 K and 2500 K, respectively, for these compounds. In spite of a large asymmetric potential the quantum nature of hydrogen transfer is recognized in the slope of the temperature dependence of T 1 on the low-temperature side of the T 1 minimum. The NQR T 1 measurements was revealed to be a good probe for the hydrogen transfer dynamics.

  7. High gradient superconducting quadrupoles

    SciTech Connect

    Lundy, R.A.; Brown, B.C.; Carson, J.A.; Fisk, H.E.; Hanft, R.H.; Mantsch, P.M.; McInturff, A.D.; Remsbottom, R.H.

    1987-07-01

    Prototype superconducting quadrupoles with a 5 cm aperture and gradient of 16 kG/cm have been built and tested as candidate magnets for the final focus at SLC. The magnets are made from NbTi Tevatron style cable with 10 inner and 14 outer turns per quadrant. Quench performance and multipole data are presented. Design and data for a low current, high gradient quadrupole, similar in cross section but wound with a cable consisting of five insulated conductors are also discussed.

  8. The Quadrupole Mass Spectrometer

    ERIC Educational Resources Information Center

    Matheson, E.; Harris, T. J.

    1969-01-01

    Describes the construction and operation of a quadrupole mass spectrometer for experiments in an advanced-teaching laboratory. Discusses the theory of operation of the spectrometer and the factors affecting the resolution. Some examples of mass spectra obtained with this instrument are presented and discussed. (LC)

  9. Sodium-23 and potassium-39 nuclear magnetic resonance relaxation in eye lens. Examples of quadrupole ion magnetic relaxation in a crowded protein environment.

    PubMed Central

    Stevens, A; Paschalis, P; Schleich, T

    1992-01-01

    Single and multiple quantum nuclear magnetic resonance (NMR) spectroscopic techniques were used to investigate the motional dynamics of sodium and potassium ions in concentrated protein solution, represented in this study by cortical and nuclear bovine lens tissue homogenates. Both ions displayed homogeneous biexponential magnetic relaxation behavior. Furthermore, the NMR relaxation behavior of these ions in lens homogenates was consistent either with a model that assumed the occurrence of two predominant ionic populations, "free" and "bound," in fast exchange with each other or with a model that assumed an asymmetric Gaussian distribution of correlation times. Regardless of the model employed, both ions were found to occur in a predominantly "free" or "unbound" rapidly reorienting state. The fraction of "bound" 23Na+, assuming a discrete two-site model, was approximately 0.006 and 0.017 for cortical and nuclear homogenates, respectively. Corresponding values for 39K+ were 0.003 and 0.007, respectively. Estimated values for the fraction of "bound" 23Na+ or 39K+ obtained from the distribution model (tau C greater than omega L-1) were less than or equal to 0.05 for all cases examined. The correlation times of the "bound" ions, derived using either a two-site or distribution model, yielded values that were at least one order of magnitude smaller than the reorientational motion of the constituent lens proteins. This observation implies that the apparent correlation time for ion binding is dominated by processes other than protein reorientational motion, most likely fast exchange between "free" and "bound" environments. The results of NMR visibility studies were consistent with the above findings, in agreement with other studies performed by non-NMR methods. These studies, in combination with those presented in the literature, suggest that the most likely role for sodium and potassium ions in the lens appears to be the regulation of cell volume by affecting the

  10. Variable Permanent Magnet Quadrupole

    SciTech Connect

    Mihara, T.; Iwashita, Y.; Kumada, M.; Spencer, C.M.; /SLAC

    2007-05-23

    A permanent magnet quadrupole (PMQ) is one of the candidates for the final focus lens in a linear collider. An over 120 T/m strong variable permanent magnet quadrupole is achieved by the introduction of saturated iron and a 'double ring structure'. A fabricated PMQ achieved 24 T integrated gradient with 20 mm bore diameter, 100 mm magnet diameter and 20 cm pole length. The strength of the PMQ is adjustable in 1.4 T steps, due to its 'double ring structure': the PMQ is split into two nested rings; the outer ring is sliced along the beam line into four parts and is rotated to change the strength. This paper describes the variable PMQ from fabrication to recent adjustments.

  11. Stabilized radio frequency quadrupole

    DOEpatents

    Lancaster, Henry D.; Fugitt, Jock A.; Howard, Donald R.

    1984-01-01

    A long-vane stabilized radio frequency resonator for accelerating charged particles and including means defining a radio frequency resonator cavity, a plurality of long vanes mounted in the defining means for dividing the cavity into sections, and means interconnecting opposing ones of the plurality of vanes for stabilizing the resonator.

  12. Stabilized radio frequency quadrupole

    DOEpatents

    Lancaster, H.D.; Fugitt, J.A.; Howard, D.R.

    1984-12-25

    Disclosed is a long-vane stabilized radio frequency resonator for accelerating charged particles and including means defining a radio frequency resonator cavity, a plurality of long vanes mounted in the defining means for dividing the cavity into sections, and means interconnecting opposing ones of the plurality of vanes for stabilizing the resonator. 5 figs.

  13. Roles of the Sodium-Translocating NADH:Quinone Oxidoreductase (Na+-NQR) on Vibrio cholerae Metabolism, Motility and Osmotic Stress Resistance

    PubMed Central

    Minato, Yusuke; Halang, Petra; Quinn, Matthew J.; Faulkner, Wyatt J.; Aagesen, Alisha M.; Steuber, Julia; Stevens, Jan F.; Häse, Claudia C.

    2014-01-01

    The Na+ translocating NADH:quinone oxidoreductase (Na+-NQR) is a unique respiratory enzyme catalyzing the electron transfer from NADH to quinone coupled with the translocation of sodium ions across the membrane. Typically, Vibrio spp., including Vibrio cholerae, have this enzyme but lack the proton-pumping NADH:ubiquinone oxidoreductase (Complex I). Thus, Na+-NQR should significantly contribute to multiple aspects of V. cholerae physiology; however, no detailed characterization of this aspect has been reported so far. In this study, we broadly investigated the effects of loss of Na+-NQR on V. cholerae physiology by using Phenotype Microarray (Biolog), transcriptome and metabolomics analyses. We found that the V. cholerae ΔnqrA-F mutant showed multiple defects in metabolism detected by Phenotype Microarray. Transcriptome analysis revealed that the V. cholerae ΔnqrA-F mutant up-regulates 31 genes and down-regulates 55 genes in both early and mid-growth phases. The most up-regulated genes included the cadA and cadB genes, encoding a lysine decarboxylase and a lysine/cadaverine antiporter, respectively. Increased CadAB activity was further suggested by the metabolomics analysis. The down-regulated genes include sialic acid catabolism genes. Metabolomic analysis also suggested increased reductive pathway of TCA cycle and decreased purine metabolism in the V. cholerae ΔnqrA-F mutant. Lack of Na+-NQR did not affect any of the Na+ pumping-related phenotypes of V. cholerae suggesting that other secondary Na+ pump(s) can compensate for Na+ pumping activity of Na+-NQR. Overall, our study provides important insights into the contribution of Na+-NQR to V. cholerae physiology. PMID:24811312

  14. Transport in rectangular quadrupole channels

    SciTech Connect

    Meier, E.

    1983-08-01

    Multiple electrostatic quadrupole arrays can be produced in many different geometries. However, the fabrication process can be considerably simplified if the poles are rectangular. This is especially true for millimeter sized channels. This paper presents the results of a series of measurements comparing the space charge limits in cylindrical and rectangular quadrupole channels.

  15. Thermal conductivity and resonant multipole interactions.

    NASA Technical Reports Server (NTRS)

    Nyeland, C.; Mason, E. A.; Monchick, L.

    1972-01-01

    Investigation of the influence of resonant multipole interactions on exchanges of rotational energy in molecular collisions, by means of a simple two-state impact-parameter approximation. It is found that dipole-quadrupole and quadrupole-quadrupole interactions can have a significant effect for molecules with low moments of inertia.

  16. Hybridization-driven gap in U3Bi4Ni3: a 209Bi NMR/NQR study

    SciTech Connect

    Baek, Seung H

    2009-01-01

    We report {sup 209}Bi nuclear-magnetic-resonance and nuclear-quadrupole-resonance measurements on a single crystal of the Kondo insulator U{sub 3}Bi{sub 4}Ni{sub 3}. The {sup 209}Bi nuclear-spin-lattice relaxation rate (T{sub 1}{sup -1}) shows activated behavior and is well fit by a spin gap of 220 K. The {sup 209}Bi Knight shift (K) exhibits a strong temperature dependence arising from 5f electrons, in which K is negative at high temperatures and increases as the temperature is lowered. Below 50 K, K shows a broad maximum and decreases slightly upon further cooling. Our data provide insight into the evolution of the hyperfine fields in a fully gapped Kondo insulator based on 5f electron hybridization.

  17. Temperature and baric dependence of nuclear quadruple resonance spectra in indium and gallium monoselenides

    NASA Astrophysics Data System (ADS)

    Khandozhko, Victor; Raranskii, Nikolai; Balazjuk, Vitaly; Samila, Andriy; Kovalyuk, Zahar

    2013-12-01

    Pulsed radiospectroscopy method has been used to study nuclear quadruple resonance (NQR) spectra of 69Ga and 115In isotopes in the layered semiconductors GaSe and InSe. It has been found that in GaSe and InSe there is a considerable temperature dependence of NQR frequency which in the temperature range of 250 to 390 K is practically linear with conversion slope 1.54 kHz/degree for 69Ga and 2.35 kHz/degree for 115In. In the same crystals the effect of uniaxial pressure on NQR spectra applied along the optical axis с up to the values of 500 kg/сm2 has been studied. A strong attenuation of NQR spectra intensity with increase in pressure on layered crystal package has been established. The unvaried multiplicity of resonance spectra indicates the absence of structural transformations in these layered crystals over the investigated range of temperatures and pressures.

  18. Nuclear Magnetic Resonance

    NASA Astrophysics Data System (ADS)

    Andrew, E. R.

    2009-06-01

    Author's preface; 1. Introduction; 2. Basic theory; 3. Experimental methods; 4. Measurement of nuclear properties and general physical applications; 5. Nuclear magnetic resonance in liquids and gases; 6. Nuclear magnetic resonance in non-metallic solids; 7. Nuclear magnetic resonance in metals; 8. Quadrupole effects; Appendices 1-6; Glossary of symbols; Bibliography and author index; Subject index.

  19. 14N NQR and the Molecular Charge Topology in Coordinated Ammonia

    NASA Astrophysics Data System (ADS)

    Murgich, Juan; Aray, Yosslen; Ospina, Edgar

    1992-02-01

    14N NQR spectra of [Co(NH3 ) 6 ] • 3Cl, [Co(NH3 ) 5CO3 ] • NO 3 , [Zn(NH3 ) 4 ] • 2Cl, [Zn(NH3 ) 4 ] •(BF4)2, and [Ag(NH3) 4 ] • NO 3 were obtained at 77 K. The results, analyzed by means of the topology of the charge distribution obtained from ab-initio MO calculations of free and of a model of coordinated NH3 , showed that bonding to the metal-ion produces a strong decrease (Co ≫ Zn ≈Ag) in the N nonbonded density ("lone pair") and an increase in the bonded maxima found in the N - H bond direction of the N valence shell.

  20. Solid-state NMR/NQR and first-principles study of two niobium halide cluster compounds.

    PubMed

    Perić, Berislav; Gautier, Régis; Pickard, Chris J; Bosiočić, Marko; Grbić, Mihael S; Požek, Miroslav

    2014-01-01

    Two hexanuclear niobium halide cluster compounds with a [Nb6X12](2+) (X=Cl, Br) diamagnetic cluster core, have been studied by a combination of experimental solid-state NMR/NQR techniques and PAW/GIPAW calculations. For niobium sites the NMR parameters were determined by using variable Bo field static broadband NMR measurements and additional NQR measurements. It was found that they possess large positive chemical shifts, contrary to majority of niobium compounds studied so far by solid-state NMR, but in accordance with chemical shifts of (95)Mo nuclei in structurally related compounds containing [Mo6Br8](4+) cluster cores. Experimentally determined δiso((93)Nb) values are in the range from 2,400 to 3,000 ppm. A detailed analysis of geometrical relations between computed electric field gradient (EFG) and chemical shift (CS) tensors with respect to structural features of cluster units was carried out. These tensors on niobium sites are almost axially symmetric with parallel orientation of the largest EFG and the smallest CS principal axes (Vzz and δ33) coinciding with the molecular four-fold axis of the [Nb6X12](2+) unit. Bridging halogen sites are characterized by large asymmetry of EFG and CS tensors, the largest EFG principal axis (Vzz) is perpendicular to the X-Nb bonds, while intermediate EFG principal axis (Vyy) and the largest CS principal axis (δ11) are oriented in the radial direction with respect to the center of the cluster unit. For more symmetrical bromide compound the PAW predictions for EFG parameters are in better correspondence with the NMR/NQR measurements than in the less symmetrical chlorine compound. Theoretically predicted NMR parameters of bridging halogen sites were checked by (79/81)Br NQR and (35)Cl solid-state NMR measurements. PMID:24581866

  1. Structural and functional investigation of flavin binding center of the NqrC subunit of sodium-translocating NADH:quinone oxidoreductase from Vibrio harveyi.

    PubMed

    Borshchevskiy, Valentin; Round, Ekaterina; Bertsova, Yulia; Polovinkin, Vitaly; Gushchin, Ivan; Ishchenko, Andrii; Kovalev, Kirill; Mishin, Alexey; Kachalova, Galina; Popov, Alexander; Bogachev, Alexander; Gordeliy, Valentin

    2015-01-01

    Na+-translocating NADH:quinone oxidoreductase (NQR) is a redox-driven sodium pump operating in the respiratory chain of various bacteria, including pathogenic species. The enzyme has a unique set of redox active prosthetic groups, which includes two covalently bound flavin mononucleotide (FMN) residues attached to threonine residues in subunits NqrB and NqrC. The reason of FMN covalent bonding in the subunits has not been established yet. In the current work, binding of free FMN to the apo-form of NqrC from Vibrio harveyi was studied showing very low affinity of NqrC to FMN in the absence of its covalent bonding. To study structural aspects of flavin binding in NqrC, its holo-form was crystallized and its 3D structure was solved at 1.56 Å resolution. It was found that the isoalloxazine moiety of the FMN residue is buried in a hydrophobic cavity and that its pyrimidine ring is squeezed between hydrophobic amino acid residues while its benzene ring is extended from the protein surroundings. This structure of the flavin-binding pocket appears to provide flexibility of the benzene ring, which can help the FMN residue to take the bended conformation and thus to stabilize the one-electron reduced form of the prosthetic group. These properties may also lead to relatively weak noncovalent binding of the flavin. This fact along with periplasmic location of the FMN-binding domains in the vast majority of NqrC-like proteins may explain the necessity of the covalent bonding of this prosthetic group to prevent its loss to the external medium. PMID:25734798

  2. Structural and Functional Investigation of Flavin Binding Center of the NqrC Subunit of Sodium-Translocating NADH:Quinone Oxidoreductase from Vibrio harveyi

    PubMed Central

    Bertsova, Yulia; Polovinkin, Vitaly; Gushchin, Ivan; Ishchenko, Andrii; Kovalev, Kirill; Mishin, Alexey; Kachalova, Galina; Popov, Alexander; Bogachev, Alexander; Gordeliy, Valentin

    2015-01-01

    Na+-translocating NADH:quinone oxidoreductase (NQR) is a redox-driven sodium pump operating in the respiratory chain of various bacteria, including pathogenic species. The enzyme has a unique set of redox active prosthetic groups, which includes two covalently bound flavin mononucleotide (FMN) residues attached to threonine residues in subunits NqrB and NqrC. The reason of FMN covalent bonding in the subunits has not been established yet. In the current work, binding of free FMN to the apo-form of NqrC from Vibrio harveyi was studied showing very low affinity of NqrC to FMN in the absence of its covalent bonding. To study structural aspects of flavin binding in NqrC, its holo-form was crystallized and its 3D structure was solved at 1.56 Å resolution. It was found that the isoalloxazine moiety of the FMN residue is buried in a hydrophobic cavity and that its pyrimidine ring is squeezed between hydrophobic amino acid residues while its benzene ring is extended from the protein surroundings. This structure of the flavin-binding pocket appears to provide flexibility of the benzene ring, which can help the FMN residue to take the bended conformation and thus to stabilize the one-electron reduced form of the prosthetic group. These properties may also lead to relatively weak noncovalent binding of the flavin. This fact along with periplasmic location of the FMN-binding domains in the vast majority of NqrC-like proteins may explain the necessity of the covalent bonding of this prosthetic group to prevent its loss to the external medium. PMID:25734798

  3. Resonance

    NASA Astrophysics Data System (ADS)

    Perozzi, E.; Murdin, P.

    2000-11-01

    A resonance in CELESTIAL MECHANICS occurs when some of the quantities characterizing the motion of two or more celestial bodies can be considered as commensurable, i.e. their ratio is close to an integer fraction. In a simplified form, this can be expressed as ...

  4. Combined Panofsky Quadrupole & Corrector Dipole

    SciTech Connect

    George Biallas; Nathan Belcher; David Douglas; Tommy Hiatt; Kevin Jordan

    2007-07-02

    Two styles of Panofsky Quadrupoles with integral corrector dipole windings are in use in the electron beam line of the Free Electron Laser at Jefferson Lab. We combined steering and focusing functions into single magnets, adding hundreds of Gauss-cm dipole corrector capability to existing quadrupoles because space is at a premium along the beam line. Superposing a one part in 100 dipole corrector field on a 1 part in 1000, weak (600 to 1000 Gauss) quadrupole is possible because the parallel slab iron yoke of the Panofsky Quadrupole acts as a window frame style dipole yoke. The dipole field is formed when two electrically floating “current sources”, designed and made at JLab, add and subtract current from the two opposite quadrupole current sheet windings parallel to the dipole field direction. The current sources also drive auxiliary coils at the yoke’s inner corners that improve the dipole field. Magnet measurements yielded the control system field maps that characterize the two types of fields. Field analysis using TOSCA, construction and wiring details, magnet measurements and reference for the current source are presented.

  5. 79Br Nuclear Quadrupole Relaxation in the High Temperature Modification of Niobium Pentabromide

    NASA Astrophysics Data System (ADS)

    Okubo, Noriaki; Sekiya, Harutaka; Ishikawa, Chiaki; Abe, Yoshihito

    1992-06-01

    The spin-lattice relaxation time of 79Br NQR has been measured between 4.2 K and room temperature. The result is compared with that of 35Cl NQR in NbCl5. The origin of the relaxation is attributed to the quadrupolar interaction and the temperature dependence is explained by the Raman process. The Debye temperature is determined to be 94 K and the relaxation time is related with the NQR frequency through the covalency.

  6. Anisotropic pairing in superconducting Sr{sub 2}RuO{sub 4}: Ru NMR and NQR studies

    SciTech Connect

    Ishida, K.; Kitaoka, Y.; Asayama, K.; Ikeda, S.; Nishizaki, S.; Maeno, Y.; Yoshida, K.; Fujita, T.

    1997-07-01

    Ru NMR and nuclear quadrupole resonance studies are reported on single-crystal Sr{sub 2}RuO{sub 4} (T{sub c}=0.7 K) with the same layered perovskite structure as La{sub 2}CuO{sub 4}. The Pauli spin susceptibility deduced from the Ru Knight shift is found to be largely enhanced by a factor of {approximately}5.4 as compared with the value from the band calculation. In the superconducting state, the nuclear spin-lattice relaxation rate 1/T{sub 1} exhibits a sharp decrease with no coherence peak just below T{sub c} and the T{sub 1}T=constant behavior well below T{sub c}, suggesting that the anisotropic pairing state is realized as in heavy-fermion and high-T{sub c} superconductors. {copyright} {ital 1997} {ital The American Physical Society}

  7. Effective quadrupole-quadrupole interaction from density functional theory

    NASA Astrophysics Data System (ADS)

    Alhassid, Y.; Bertsch, G. F.; Fang, L.; Sabbey, B.

    2006-09-01

    The density functional theory of nuclear structure provides a many-particle wave function that is useful for static properties, but an extension of the theory is necessary to describe correlation effects or other dynamic properties. We propose a procedure to extend the theory by mapping the properties of a self-consistent mean-field theory onto an effective shell-model Hamiltonian with quadrupole-quadrupole interaction. In this initial study, we consider the sd-shell nuclei Ne20, Mg24, Si28, and Ar36. The method is first tested with the USD shell-model Hamiltonian, using its mean-field approximation to construct an effective Hamiltonian and partially recover correlation effects. We find that more than half of the correlation energy is due to the quadrupole interaction. We then follow a similar procedure but using the SLy4 Skyrme energy functional as our starting point and truncating the space to the spherical sd shell. The constructed shell-model Hamiltonian is found to satisfy minimal consistency requirements to reproduce the properties of the mean-field solution. The quadrupolar correlation energies computed with the mapped Hamiltonian are reasonable compared with those computed by other methods. The method also provides a well-defined renormalization of the quadrupole operator in the shell-model space, the “effective charge” of the phenomenological shell model.

  8. Defects and hyperfine interactions in Ni Y intermetallics (Y = Al, Ga, In, Ti) via 27Al, 47Ti, 61Ni, 69,71Ga and 115In nuclear resonance

    NASA Astrophysics Data System (ADS)

    Bastow, T. J.; West, G. W.

    2003-12-01

    Defect structures and nuclear electric hyperfine interactions have been investigated in a series of binary Ni-Al, Ni-Ga, Ni-In intermetallic compounds, and the shape memory compound NiTi using 27Al, 47,49Ti, 61Ni, 71Ga and 115In nuclear resonance. Components of the 61Ni NMR spectrum for a series of cubic Ni1-xAlx and Ni1-xGax specimens on either side of x = 0.5 have been identified as due to Ni substitutions and Al (or Ga) vacancies. For stoichiometric NiAl, Ni2Al3 and NiAl3 the 61Ni lines are narrow and distinguished by well-separated Knight shifts, although the 61Ni lineshape for the ordered vacancy compound Ni3Al4 indicates a substantial nuclear quadrupole interaction at the Ni site. The substitution for Al of the group III elements Ga and In, which have isoelectronic outer shells, acts to increase the 61Ni Knight shift such that 61K(Al)<61K(Ga)<61K(In). This trend is observed not only for cubic NiAl and NiGa, but also for trigonal Ni2Al3, Ni2Ga3 and Ni2In3. In NiTi the sharp first-order transition between the (high-temperature) cubic phase and the (low-temperature) monoclinic phase has been observed while monitoring the 61Ni and 49,47Ti NMR lineshapes as a function of temperature. In the non-cubic phases of these materials (including hexagonal egr-NiIn) the electric field gradient tensor components Vzz and eegr at the atomic sites have been determined from the nuclear quadrupole perturbed 27Al, 47Ti, 61Ni, 71Ga NMR lineshapes together with 69Ga and 115In NQR transition frequencies, and compared with values derived from ab initio calculation.

  9. Nuclear Quadrupole Moments and Nuclear Shell Structure

    DOE R&D Accomplishments Database

    Townes, C. H.; Foley, H. M.; Low, W.

    1950-06-23

    Describes a simple model, based on nuclear shell considerations, which leads to the proper behavior of known nuclear quadrupole moments, although predictions of the magnitudes of some quadrupole moments are seriously in error.

  10. Quadrupole interactions in tetraoxoferrates (VI)

    NASA Astrophysics Data System (ADS)

    Dedushenko, Sergey K.; Perfiliev, Yurii D.; Rusakov, Vyacheslav S.; Gapochka, Alexei M.

    2013-05-01

    An applicability of the point charge approach for calculations of quadrupole splittings in Mössbauer spectra of ferrates(VI) was studied. The reasonable correlation between calculated and experimental splittings was observed for the majority of ferrates excepting K3Na(FeO4)2. The comparison of ferrates and chromates was made using calculated nucleus independent coefficient.

  11. Quadrupole magnets for the SSC

    SciTech Connect

    Lietzke, A.; Barale, P.; Benjegerdes, R.; Caspi, S.; Cortella, J.; Dell`Orco, D.; Gilbert, W.; Green, M.I.; Mirk, K.; Peters, C.; Scanlan, R.; Taylor, C.E.; Wandesforde, A.

    1992-08-01

    At LBL, we have designed, constructed, and tested ten models (4-1meter, 6-5meter) of the Superconducting Super Collider (SSC) main-ring 5 meter focusing quadrupole magnet (211Tesla/meter). The results of this program are herein summarized.

  12. LCLS Undulator Quadrupole Fiducialization Plan

    SciTech Connect

    Wolf, Zachary; Levashov, Michael; Lundahl, Eric; Reese, Ed; LeCocq, Catherine; Ruland, Robert; /SLAC

    2010-11-24

    This note presents the fiducialization plan for the LCLS undulator quadrupoles. The note begins by summarizing the requirements for the fiducialization. A discussion of the measurement equipment is presented, followed by the methods used to perform the fiducialization and check the results. This is followed by the detailed fiducialization plan in which each step is enumerated. Finally, the measurement results and data storage formats are presented. The LCLS is made up of 33 assemblies consisting of an undulator, quadrupole, beam finder wire, and other components mounted on a girder. The components must be mounted in such a way that the beam passes down the axis of each component. In this note, we describe how the ideal beam axis is related to tooling balls on the quadrupole. This step, called fiducialization, is necessary because the ideal beam axis is determined magnetically, whereas tangible objects must be used to locate the quadrupole. The note begins with the list of fiducialization requirements. The laboratory in which the work will be performed and the relevant equipment is then briefly described. This is followed by a discussion of the methods used to perform the fiducialization and the methods used to check the results. A detailed fiducialization plan is presented in which all the steps of fiducialization are enumerated. A discussion of the resulting data files and directory structure concludes the note.

  13. Studies of Structure and Phase Transition in [C(NH2)3]HgBr3 and [C(NH2)3]HgI3 by Means of Halogen NQR, 1H NMR, and Single Crystal X-Ray Diffraction

    NASA Astrophysics Data System (ADS)

    Terao, Hiromitsu; Hashimoto, Masao; Hashimoto, Shinichi; Furukawa, Yoshihiro

    2000-02-01

    The crystal structure of [C(NH2)3]HgBr3 was determined at room temperature: monoclinic, space group C2/c, Z = 4, a = 775.0(2), b = 1564.6(2), c = 772.7(2) pm, β = 109.12(2)°. In the crystal, almost planar HgBr3- ions are connected via Hg ··· Br bonds, resulting in single chains of trigonal bipyramidal HgBr5 units which run along the c direction. [C(NH2)3]HgI3 was found to be isomorphous with the bromide at room temperature. The temperature dependence of the halogen NQR frequencies (77 < 77K < ca. 380) and the DTA measurements evidenced no phase transition for the bromide, but a second-order phase transition at (251 ± 1) K (Tc1) and a first-order one at (210 ± 1) K for the iodide. The transitions at Tc2are accompanied with strong supercooling and significant superheating. The room temperature phase (RTP) and the intermediate temperature phase (ITP) of the iodide are characterized by two 127I(m=1/2↔3/2) NQR lines which are assigned to the terminal and the bridging I atoms, respectively. There exist three lines in the lowest temperature phase (LTP), indicating that the resonance line of the bridging atom splits into two. The signal intensities of the 127I(m =1/2↔3/2) NQR lines in the LTP decrease with decreasing temperature resulting in no detection below ca. 100 K. The 127I(m=1/2↔3/2) NQR frequency vs. temperature curves are continuous at Tcl, but they are unusual in the LTP. The T1vs. Tcurves of 1H NMR for the bromide and iodide are explainable by the reorientational motions of the cations about their pseudo three-fold axes. The estimated activation energies of the motions are 35.0 kJ/mol for the bromide, and 24.1, 30.1, and 23.0 kJ/mol for the RTP, FTP, and LTP of the iodide, respectively

  14. Microwave Spectra of Furazan II. Nuclear Quadrupole Coupling in d1-Furazan

    NASA Astrophysics Data System (ADS)

    Stiefvater, Otto L.

    1988-06-01

    The nuclear quadrupole coupling constants for the two nitrogen atoms in monodeuterated furazan (C2HDN2O) were determined from the hyperfine structure of eight rotational transitions with low J-values. The coupling constants along the inertial axes are: χaa (2) = + 3.546(10) MHz, χaa (5) = -5.044(10) MHz, χbb (2) = -4.690(10) MHz, χbb (5) = + 3.900(10) MHz, χcc (2) = + 1.144(10) MHz, χcc (5) = + 1.144(10) MHz. In conjunction with structural information from the preceding study, these data yield the principal coupling constants, with 3er-uncertainties, as: χR(2/5) = - 5.53 (4) MHz, χT(2/5) = + 4.39(4)MHz, χR(2/5) = + 1.14(4) MHz. The radial electric field gradients deviate from the direction of the external bisector of the ring angle ONC by 24.6° towards the oxygen atom. These results are in qualitative agreement with previous work by NQR spectroscopy and with the results of ab initio molecular orbital calculations.

  15. Potential Antiferromagnetic Fluctuations in Hole-Doped Iron-Pnictide Superconductor Ba1-xKxFe2As2 Studied by 75As Nuclear Magnetic Resonance Measurement0.1143/JPSJ.81.054704

    SciTech Connect

    Hirano, Masanori; Yamada, Yuji; Saito, Taku; Nagashima, Ryo; Konishi, Takehisa; Toriyama, Tatsuya; Ohta, Yukinori; Fukazawa, Hideto; Kohori, Yoh; Furukawa, Yuji; Kihou, Kunihiro; Lee, Chul-Ho; Eisaki, Hiroshi

    2012-04-12

    We have performed 75As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements on single-crystalline Ba1-xKxFe2As2 for x = 0.27–1. 75As nuclear quadruple resonance frequency (νQ) increases linearly with increasing x. The Knight shift K in the normal state shows Pauli paramagnetic behavior with a weak temperature T dependence. K increases gradually with increasing x. By contrast, the nuclear spin–lattice relaxation rate 1/T1 in the normal state has a strong T dependence, which indicates the existence of large antiferomagnetic (AF) spin fluctuations for all x's. The T dependence of 1/T1 shows a gaplike behavior below approximately 100 K for 0.6 < x < 0.9. This behaviors is well explained by the change in the band structure with the expansion of hole Fermi surfaces and the shrinkage and disappearance of electron Fermi surfaces at the Brillouin zone (BZ) with increasing x. The anisotropy of 1/T1, represented by the ratio of 1/T1ab to 1/T1c, is always larger than 1 for all x's, which indicates that stripe-type AF fluctuations are dominant in this system. The K in the superconducting (SC) state decreases, which corresponds to the appearance of spin-singlet superconductivity. The T dependence of 1/T1 in the SC state indicates a multiple-SC-gap feature. A simple two-gap model analysis shows that the larger superconducting gap gradually decreases with increasing x from 0.27 to 1 and a smaller gap decreases rapidly and nearly vanishes for x > 0.6 where electron pockets in BZ disappear.

  16. Analytic formula for quadrupole-quadrupole matrix elements

    NASA Astrophysics Data System (ADS)

    Rosensteel, G.

    1990-12-01

    An analytic formula is reported for general matrix elements of the microscopic quadrupole-quadrupole operator in the U(3)-boson approximation. The complete infinite-dimensional basis of A-fermion wave functions is compatible with the harmonic-oscillator shell model and consists of np-nh configurations, with spurious center-of-mass excitations removed, which are symmetry adapted to the Elliott U(3) and symplectic Sp(3,R) models. The formula expresses the general Q2.Q2 matrix element with respect to this complete orthonormal basis as a Racah SU(3) U coefficient times a closed-shell matrix element. An oscillator closed-shell matrix element of Q2.Q2 is a square root of a rational function of the integer quantum numbers of the U(3) basis.

  17. Fano quadrupole in a nanoscale ring

    NASA Astrophysics Data System (ADS)

    Satanin, Arkady; Klimeck, Gerhard

    2005-03-01

    In solid state systems such as Aharonov-Bohm (AB) rings, two-dimensional electronic waveguides, and barriers, interference of a localized wave with propagating states produces Fano resonances in the conductance. The scattering amplitude near a Fano zero-pole pair behaves like the amplitude of a dipole when the pole and the zero play the roles of a particle and an antiparticle, respectively [1]. This separate Fano-dipole has been already observed in the AB ring with an embedded quantum dot (QD) [2]. In the present work, we examine new effects on the collision of Fano dipoles and its manifestation in the transmission. The numerical results for a realistic AB ring with two embedded QD's will be presented. We show that the two Fano-dipoles form a new quasi-particle, which behaves as a coupled object -- the Fano quadrupole. This property gives an additional possibility of manipulating transmission resonances (a collapse of particle and hole) in a nanoscale ring by changing the parameters of the system. We discuss an analogy of Fano collision in an AB ring and a γ-X barrier [3]. [1] Z. Shao et al., PRB 49, 7453 (1994). [2] K. Kobayashi, et al. PRL, 85, 256806 (2002). [3] R. C. Bowen, et al. PRB 52, 2754 (1995).

  18. Extreme quadrupole deformation and clusterization

    NASA Astrophysics Data System (ADS)

    Darai, J.; Cseh, J.; Adamian, G.; Antonenko, N.

    2012-12-01

    We discuss a simple symmetry-adapted method for the determination of the shape isomers, and for the study of their possible fragmentation. In other words the connection between the quadrupole (collective) and dipole (cluster) degrees of freedom is considered in terms of an easily applicable, yet microscopic method. The energetics is taken into account by the double-folding method. Special attention is focused on those cases in which the theoretical predictions have a direct comparison with experimental observation.

  19. Commissioning of helium injector for coupled radio frequency quadrupole and separated function radio frequency quadrupole accelerator

    SciTech Connect

    Peng, Shixiang Chen, Jia; Ren, Haitao; Zhao, Jie; Xu, Yuan; Zhang, Tao; Xia, Wenlong; Gao, Shuli; Wang, Zhi; Luo, Yuting; Guo, Zhiyu; Zhang, Ailing; Chen, Jia'er; University of Chinese Academy of Sciences, Beijing 100049

    2014-02-15

    A project to study a new type of acceleration structure has been launched at Peking University, in which a traditional radio frequency quadrupole (RFQ) and a separated function radio frequency quadrupole are coupled in one cavity to accelerate the He+ beam. A helium injector for this project is developed. The injector consists of a 2.45 GHz permanent magnet electron cyclotron resonance ion source and a 1.16 m long low energy beam transport (LEBT). The commissioning of this injector was carried out and an onsite test was held in June 2013. A 14 mA He+ beam with the energy of 30 keV has been delivered to the end of the LEBT, where a diaphragm with the diameter of 7 mm is located. The position of the diaphragm corresponds to the entrance of the RFQ electrodes. The beam emittance and fraction were measured after the 7 mm diaphragm. Its rms emittance is about 0.14 π mm mrad and the fraction of He+ is about 99%.

  20. First Observation of a Quadrupole Cooper Minimum in the Photoionization of Xe 5p

    NASA Astrophysics Data System (ADS)

    Deshmukh, P. C.; Hemmers, O.; Guillemin, R.; Wolska, A.; Lindle, D. W.; Rolles, D.; Yu, S. W.; Manson, S. T.

    2006-05-01

    The nondipole photoelectron angular distribution parameter ξ (= 3δ+γ) for xenon 5p1/2 and 5p3/2 has been studied experimentally in the 80 - 200 eV range. In addition, calculations have been performed using the relativistic-random-phase approximation (RRPA) methodology with all relativistic single excitation/ionization channels down to 4s coupled in both the dipole and quadrupole manifolds. The results show significant disagreement between theory and experiment above about 130 eV photon energy, in contradistinction to the Xe 5s case where rather good agreement is found. Since it is known that the dipole amplitudes are well-represented by RRPA, the difficulty must be in the quadrupole channels. It was expected that the quadrupole channels should be accurate as well since the f-wave is resonant in Xe and the main quadrupole transitions, the 5p->kf, are included in the calculation. However, we have found that these transitions each have a quadrupole Cooper minimum in the energy region of interest, so that quadrupole satellites, which are not included in the RRPA calculation, become important. This might be the first experimental indication of a quadrupole Cooper minimum.

  1. Nuclear quadrupole moment of the {sup 99}Tc ground state

    SciTech Connect

    Errico, Leonardo; Darriba, German; Renteria, Mario; Tang Zhengning; Emmerich, Heike; Cottenier, Stefaan

    2008-05-15

    By combining first-principles calculations and existing nuclear magnetic resonance (NMR) experiments, we determine the quadrupole moment of the 9/2{sup +} ground state of {sup 99}Tc to be (-)0.14(3)b. This confirms the value of -0.129(20)b, which is currently believed to be the most reliable experimental determination, and disagrees with two earlier experimental values. We supply ab initio calculated electric-field gradients for Tc in YTc{sub 2} and ZrTc{sub 2}. If this calculated information would be combined with yet to be performed Tc-NMR experiments in these compounds, the error bar on the {sup 99}Tc ground state quadrupole moment could be further reduced.

  2. Image restoration using fast Fourier and wavelet transforms

    NASA Astrophysics Data System (ADS)

    Harrod, William J.; Nagy, James G.; Plemmons, Robert J.

    1994-02-01

    Pure nuclear quadrupole resonance (NQR) of 14N nuclei is quite promising as a method for detecting explosives such as RDX and contraband narcotics such as cocaine and heroin in quantities of interest. Pure NQR is conducted without an external applied magnetic field, so potential concerns about damage to magnetically encoded data or exposure of personnel to large magnetic fields are not relevant. Because NQR frequencies of different compounds are quite distinct, we do not encounter false alarms from the NQR signals of other benign materials. We have constructed a proof-of-concept NQR explosives detector which interrogates a volume of 300 liters (10 ft3). With minimal modification to the existing explosives detector, we can detect operationally relevant quantities of (free base) cocaine within the 300-liter inspection volume in 6 seconds. We are presently extending this approach to the detection of heroin base and also examining 14N and 35,37Cl pure NQR for detection of the hydrochloride forms of both materials. An adaptation of this NQR approach may be suitable for scanning personnel for externally carried contraband and explosives. We first outline the basics of the NQR approach, highlighting strengths and weaknesses, and then present representative results for RDX and cocaine detection. We also present a partial compendium of relevant NQR parameters measured for some materials of interest.

  3. Stabilized radio-frequency quadrupole

    DOEpatents

    Lancaster, H.D.; Fugitt, J.A.; Howard, D.R.

    1982-09-29

    A long-vane stabilized radio frequency resonator for accelerating charged particles and including means defining a radio frequency resonator cavity, a plurality of long vanes mounted in the defining means for dividing the cavity into sections, and means interconnecting opposing ones of the plurality of vanes for stabilizing the resonator.

  4. Laced permanent magnet quadrupole drift tube magnets

    SciTech Connect

    Feinberg, B.; Behrsing, G.U.; Halbach, K.; Marks, J.S.; Morrison, M.E.; Nelson, D.H.

    1989-03-01

    Twenty-three laced permanent magnet quadrupole drift tube magnets have been constructed, tested, and installed in the SuperHILAC heavy ion linear accelerator at LBL, marking the first accelerator use of this new type of quadrupole. The magnets consist of conventional tape-wound quadrupole electromagnets, using iron pole-pieces, with permanent magnet material (samarium cobalt) inserted between the poles to reduce the effects of saturation. The iron is preloaded with magnetic flux generated by the permanent magnet material, resulting in an asymmetrical saturation curve. Since the polarity of the individual quadrupole magnets in a drift tube linac is never reversed, we can take advantage of this asymmetrical saturation to provide about 20% greater focusing strength than is available with conventional quadrupoles, while replacing the vanadium permendur poletips with iron poletips. Comparisons between these magnets and conventional tape-wound quadrupoles will be presented. 3 refs., 5 figs.

  5. Quadrupole scattering in PrAl2

    NASA Astrophysics Data System (ADS)

    Sablik, M. J.; Pureur, P.; Creuzet, G.; Fert, A.; Levy, P. M.

    1983-10-01

    We derive the spontaneous anisotropy of the resistivity of the ferromagnetic compound PrAl2 from magnetoresistance measurements on a single crystal of PrAl2. We ascribe this spontaneous anisotropy of the resistivity to scattering of the conduction electrons by the thermal quadrupole disorder and we account for our experimental results by using the theoretical model previously developed by us. We find that quadrupole scattering gives a very important contribution to the total magnetic disorder (spin and quadrupole) resistivity but that only a small part of this quadrupole contribution is anisotropic.

  6. Magnetic properties of ISABELLE superconducting quadrupoles

    SciTech Connect

    Willen, E; Engelmann, R; Greene, A F; Herrera, J; Jaeger, K; Kirk, H; Robins, K

    1981-01-01

    A number of superconducting quadrupole magnets have been constructed in the ISABELLE project during the past year. With these quadrupoles, it was intended to test construction techniques, magnet performance and measuring capability in an effort to arrive at a quadrupole design satisfactory for use in the storage ring accelerator. While these magnets are designed to have dimensions and field properties close to those needed for regular cell ISABELLE quadrupoles, no effort was made to make them identical to one another. This report details the performance characteristics of one of these magnets, MQ3005.

  7. Dissecting the Few-Femtosecond Dephasing Time of Dipole and Quadrupole Modes in Gold Nanoparticles Using Polarized Photoemission Electron Microscopy.

    PubMed

    Sun, Quan; Yu, Han; Ueno, Kosei; Kubo, Atsushi; Matsuo, Yasutaka; Misawa, Hiroaki

    2016-03-22

    Dipole and quadrupole modes are the two lowest orders of localized surface plasmon resonance (LSPR) eigenmodes in metallic nanoparticles. Of these two modes, the quadrupole mode is forbidden for symmetric metallic nanoparticles excited by linearly polarized light at normal incidence. Here, we demonstrate excitation of the quadrupole mode in symmetrical gold (Au) nanoblocks shined with s-polarized light at oblique incidence. In particular, we probe the near-field LSPR in Au nanoblocks using photoemission electron microscopy (PEEM) and find that at oblique incidence, the dipole and quadrupole modes can be selectively excited, in terms of near-field enhancement, by manipulating the light polarization state. More importantly, by time-resolved PEEM measurements, we experimentally demonstrate that the quadrupole mode in symmetrical Au nanoblocks has longer dephasing time than that of the dipole mode. PMID:26878248

  8. A Vibrating Wire System For Quadrupole Fiducialization

    SciTech Connect

    Wolf, Zachary

    2010-12-13

    A vibrating wire system is being developed to fiducialize the quadrupoles between undulator segments in the LCLS. This note provides a detailed analysis of the system. The LCLS will have quadrupoles between the undulator segments to keep the electron beam focused. If the quadrupoles are not centered on the beam axis, the beam will receive transverse kicks, causing it to deviate from the undulator axis. Beam based alignment will be used to move the quadrupoles onto a straight line, but an initial, conventional alignment must place the quadrupole centers on a straight line to 100 {micro}m. In the fiducialization step of the initial alignment, the position of the center of the quadrupole is measured relative to tooling balls on the outside of the quadrupole. The alignment crews then use the tooling balls to place the magnet in the tunnel. The required error on the location of the quadrupole center relative to the tooling balls must be less than 25 {micro}m. In this note, we analyze a system under construction for the quadrupole fiducialization. The system uses the vibrating wire technique to position a wire onto the quadrupole magnetic axis. The wire position is then related to tooling balls using wire position detectors. The tooling balls on the wire position detectors are finally related to tooling balls on the quadrupole to perform the fiducialization. The total 25 {micro}m fiducialization error must be divided between these three steps. The wire must be positioned onto the quadrupole magnetic axis to within 10 {micro}m, the wire position must be measured relative to tooling balls on the wire position detectors to within 15 {micro}m, and tooling balls on the wire position detectors must be related to tooling balls on the quadrupole to within 10 {micro}m. The techniques used in these three steps will be discussed. The note begins by discussing various quadrupole fiducialization techniques used in the past and discusses why the vibrating wire technique is our method

  9. Distal and proximal ligand interactions in heme proteins: Correlations between C-O and Fe-C vibrational frequencies, oxygen-17 and carbon-13 nuclear magnetic resonance chemical shifts, and oxygen-17 nuclear quadrupole coupling constants in C sup 17 O- and sup 13 CO-labeled species

    SciTech Connect

    Ki Deok Park; Guo, K.; Adebodun, F.; Chiu, M.L.; Sligar, S.G.; Oldfield, E. )

    1991-03-05

    The authors have obtained the oxygen-17 nuclear magnetic resonance (NMR) spectra of a variety of C{sup 17}O-labeled heme proteins, including sperm whale (Physeter catodon) myoglobin, two synthetic sperm whale myoglobin mutants (His E7 {yields} Val E7; His E7 {yields} Phe E7), adult human hemoglobin, rabbit (Oryctolagus cuniculus) hemoglobin, horseradish (Cochlearia armoracia) peroxidase isoenzymes A and C, and Caldariomyces fumago chloroperoxidase, in some cases as a function of pH, and have determined their isotropic {sup 17}O NMR chemical shifts, {delta}{sub i}, and spin-lattice relaxation times, T{sub 1}. They have also obtained similar results on a picket fence prophyrin. The results show an excellent correlation between the infrared C-O vibrational frequencies, {nu}(C-O), and {delta}{sub i}, between {nu}(C-O) and the {sup 17}O nuclear quadrupole coupling constant, and as expected between e{sup 2}qQ/h and {delta}{sub i}. The results suggest the IR and NMR measurements reflect the same interaction, which is thought to be primarily the degree of {pi}-back-bonding from Fe d to CO {pi}* orbitals, as outlined previously.

  10. QUADRUPOLE BEAM-BASED ALIGNMENT AT RHIC.

    SciTech Connect

    NIEDZIELA, J.; MONTAG, C.; SATOGATA, T.

    2005-05-16

    Successful implementation of a beam-based alignment algorithm, tailored to different types of quadrupoles at RHIC, provides significant benefits to machine operations for heavy ions and polarized protons. This algorithm was used to calibrate beam position monitor centers relative to interaction region quadrupoles to maximize aperture. This approach was also used to determine the optimal orbit through transition jump quadrupoles to minimize orbit changes during the transition jump for heavy ion acceleration. This paper provides background discussion and results from first measurements during the RHIC 2005 run.

  11. Rotational dynamics of water molecules near biological surfaces with implications for nuclear quadrupole relaxation.

    PubMed

    Braun, Daniel; Schmollngruber, Michael; Steinhauser, Othmar

    2016-09-21

    Based on Molecular Dynamics simulations of two different systems, the protein ubiquitin dissolved in water and an AOT reverse micelle, we present a broad analysis of the single particle rotational dynamics of water. A comprehensive connection to NQR, which is a prominent experimental method in this field, is developed, based on a reformulation of its theoretical framework. Interpretation of experimental NQR results requires a model which usually assumes that the NQR experiences retardation only in the first hydration shell. Indeed, the present study shows that this first-shell model is correct. Moreover, previous experimental retardation factors are quantitatively reproduced. All of this is seemingly contradicted by results of other methods, e.g., dielectric spectroscopy, responsible for a long-standing debate in this field. Our detailed analysis shows that NQR omits important information contained in overall water dynamics, most notably, the retardation of the water dipole axis in the electric field exerted by a biological surface. PMID:27546227

  12. Nonuniform radiation damage in permanent magnet quadrupoles

    SciTech Connect

    Danly, C. R.; Merrill, F. E.; Barlow, D.; Mariam, F. G.

    2014-08-15

    We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL’s pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components.

  13. Clusterization and quadrupole deformation in nuclei

    SciTech Connect

    Cseh, J.; Algora, A.; Antonenko, N. V.; Jolos, R. V.; Scheid, W.; Darai, J.; Hess, P. O.

    2006-04-26

    We study the interrelation of the clusterization and quadrupole deformation of atomic nuclei, by applying cluster models. Both the energetic stability and the exclusion principle is investigated. Special attention is paid to the relative orientations of deformed clusters.

  14. Nonuniform radiation damage in permanent magnet quadrupoles.

    PubMed

    Danly, C R; Merrill, F E; Barlow, D; Mariam, F G

    2014-08-01

    We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL's pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components. PMID:25173260

  15. Klystron having electrostatic quadrupole focusing arrangement

    DOEpatents

    Maschke, Alfred W.

    1983-08-30

    A klystron includes a source for emitting at least one electron beam, and an accelerator for accelarating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome.

  16. Klystron having electrostatic quadrupole focusing arrangement

    DOEpatents

    Maschke, A.W.

    1983-08-30

    A klystron includes a source for emitting at least one electron beam, and an accelerator for accelerating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome. 4 figs.

  17. Miniature quadrupole mass spectrometer array

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael H. (Inventor); Orient, Otto J. (Inventor)

    1998-01-01

    The present invention provides a minature quadrupole mass spectrometer array for the separation of ions, comprising a first pair of parallel, planar, nonmagnetic conducting rods each having an axis of symmetry, a second pair of planar, nonmagnetic conducting rods each having an axis of symmetry parallel to said first pair of rods and disposed such that a line perpendicular to each of said first axes of symmetry and a line perpendicular to each of said second axes of symmetry bisect each other and form a generally 90 degree angle. A nonconductive top positioning plate is positioned generally perpendicular to the first and second pairs of rods and has an aperture for ion entrance along an axis equidistant from each axis of symmetry of each of the parallel rods, a nonconductive bottom positioning plate is generally parallel to the top positioning plate and has an aperture for ion exit centered on an axis equidistant from each axis of symmetry of each of the parallel rods, means for maintaining a direct current voltage between the first and second pairs of rods, and means for applying a radio frequency voltage to the first and second pairs of rods.

  18. Miniature quadrupole mass spectrometer array

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Hecht, Michael H. (Inventor); Orient, Otto J. (Inventor)

    1997-01-01

    The present invention provides a minature quadrupole mass spectrometer array for the separation of ions, comprising a first pair of parallel, planar, nonmagnetic conducting rods each having an axis of symmetry, a second pair of planar, nonmagnetic conducting rods each having an axis of symmetry parallel to said first pair of rods and disposed such that a line perpendicular to each of said first axes of symmetry and a line perpendicular to each of said second axes of symmetry bisect each other and form a generally 90 degree angle. A nonconductive top positioning plate is positioned generally perpendicular to the first and second pairs of rods and has an aperture for ion entrance along an axis equidistant from each axis of symmetry of each of the parallel rods, a nonconductive bottom positioning plate is generally parallel to the top positioning plate and has an aperture for ion exit centered on an axis equidistant from each axis of symmetry of each of the parallel rods, means for maintaining a direct current voltage between the first and second pairs of rods, and means for applying a radio frequency voltage to the first and second pairs of rods.

  19. Integrally formed radio frequency quadrupole

    DOEpatents

    Abbott, Steven R.

    1989-01-01

    An improved radio frequency quadrupole (10) is provided having an elongate housing (11) with an elongate central axis (12) and top, bottom and two side walls (13a-d) symmetrically disposed about the axis, and vanes (14a-d) formed integrally with the walls (13a-d), the vanes (14a-d) each having a cross-section at right angles to the central axis (12) which tapers inwardly toward the axis to form electrode tips (15a-d) spaced from each other by predetermined distances. Each of the four walls (13a-d), and the vanes (14a-d) integral therewith, is a separate structural element having a central lengthwise plane (16) passing through the tip of the vane, the walls (13a-d) having flat mounting surfaces (17, 18) at right angles to and parallel to the control plane (16), respectively, which are butted together to position the walls and vane tips relative to each other.

  20. Quadrupole magnet field mapping for FRIB

    NASA Astrophysics Data System (ADS)

    Portillo, M.; Amthor, A. M.; Chouhan, S.; Cooper, K.; Gehring, A.; Hausmann, M.; Hitchcock, S.; Kwarsick, J.; Manikonda, S.; Sumithrarachchi, C.

    2013-12-01

    Extensive magnetic field map measurements have been done on a newly built superconducting quadrupole triplet with sextupole and octupole coils nested within every quadrupole. The magnetic field multipole composition and fringe field distributions have been analyzed and an improved parameterization of the field has been developed within the beam transport simulation framework. Parameter fits yielding standard deviations as low as 0.3% between measured and modeled values are reported here.

  1. Permanent magnet edge-field quadrupole

    DOEpatents

    Tatchyn, Roman O.

    1997-01-01

    Planar permanent magnet edge-field quadrupoles for use in particle accelerating machines and in insertion devices designed to generate spontaneous or coherent radiation from moving charged particles are disclosed. The invention comprises four magnetized rectangular pieces of permanent magnet material with substantially similar dimensions arranged into two planar arrays situated to generate a field with a substantially dominant quadrupole component in regions close to the device axis.

  2. Permanent magnet edge-field quadrupole

    DOEpatents

    Tatchyn, R.O.

    1997-01-21

    Planar permanent magnet edge-field quadrupoles for use in particle accelerating machines and in insertion devices designed to generate spontaneous or coherent radiation from moving charged particles are disclosed. The invention comprises four magnetized rectangular pieces of permanent magnet material with substantially similar dimensions arranged into two planar arrays situated to generate a field with a substantially dominant quadrupole component in regions close to the device axis. 10 figs.

  3. Laced permanent magnet quadrupole drift tube magnets

    SciTech Connect

    Feinberg, B.; Behrsing, G.U.; Halbach, K.; Marks, J.S.; Morrison, M.E.; Nelson, D.H.

    1988-10-01

    A laced permanent magnet quadrupole drift tube magnet has been constructed for a proof-of-principle test. The magnet is a conventional tape-wound quadrupole electromagnet, using iron pole- pieces, with the addition of permanent magnet material (neodymium iron) between the poles to reduce the effects of saturation. The iron is preloaded with magnetic flux generated by the permanent magnet material, resulting in an asymmetrical saturation curve. Since the polarity of the quadrupole magnets in a drift tube linac is not reversed we can take advantage of this asymmetrical saturation to provide greater focusing strength. The magnet configuration has been optimized and the vanadium permendur poles needed in a conventional quadrupole have been replaced with iron poles. The use of permanent magnet material has allowed us to increase the focusing strength of the magnet by about 20% over that of a conventional tape-wound quadrupole. Comparisons will be made between this magnet and the conventional tape-wound quadrupole. 3 refs., 5 figs.

  4. Analysis of the performance of a phase alternated multiple pulse sequence in spin I = 7/2 zero-field NQR spectroscopy

    NASA Astrophysics Data System (ADS)

    Ramamoorthy, A.

    Zero-field nuclear magnetic resonance spectroscopy of solids containing quadrupole nuclei usually results in broad spectral lines. This line-broadening is due mainly to the inhomogeneity of the electric field gradient (EFG) at the quadrupolar nuclear site. High resolution spectra of such solids can be obtained with the application of suitably designed multiple radiofrequency (RF) pulse sequences. The performance is reported for a periodic and cyclic phase alternated multiple RF pulse sequence (PAPS) in a spin I = 7/2 system in zero external magnetic field. Average Hamiltonian theory based on the Magnus expansion is used to solve the time-dependent Liouville-von Neumann equation of motion of the spin system under the effect of the PAPS sequence. Single transition operators are employed in the spin dynamics calculations. It is shown that the multiple pulse seqeuncearation pulse, suppresses the EFG inhomogeneity to a maximum extent when = 2 . [-- ] 2 , where is the prep1 2 2 N 1 2 1

  5. Broadband echo sequence using a pi composite pulse for the pure NQR of a spin I = 32 powder sample

    PubMed

    Odin

    2000-04-01

    This work presents a numerical approach to optimizing sequences with composite pulses for the pure NQR of a spin I = 32 powder sample. The calculations are based on a formalism developed in a previous paper, which allows a fast powder-averaging procedure to be implemented. The framework of the Cayley-Klein matrices to describe space rotations by 2 x 2 unitary and unimodular complex matrices is used to calculate the pulse propagators. The object of such a study is to design a high-performance echo sequence composed of a single preparation pulse and a three-pulse composite transfer pulse. We mean a sequence leading to a large excitation bandwidth with a good signal-to-noise ratio, a flat excitation profile near the irradiation frequency, and a good linearity of the phase as a function of frequency offset. Such a composite echo sequence is intended to give a better excitation profile than the classical Hahn (θ)-tau-(2θ) echo sequence. It is argued that in pure NQR of a powder sample, the sequence must be optimized as a whole since both the excitation and the reception of the signal depend on the relative orientation of the crystallites with respect to the coil axis. To our knowledge, this is the first time such a global approach is presented. An extensive numerical study of the composite echo sequence described above is performed in this article. The key of the discrimination between the sequences lies in using the first five reduced moments of the excitation profile as well as an estimator of the phase linearity. Based on such information, we suggest that the echo sequence that best fulfills our criterion is (1)(0)-tau-(0.35)(0)(2.1)(pi)(0.35)(0), the pulse angles omega(RF)t(p) being in radians. The subscripts are the relative pulse phases. We outlined the way to implement the spin echo mapping method to reconstruct large spectra with this sequence, and it is shown that it reduces the acquisition time by a factor of 1.7 if compared to the classical Hahn echo. Some

  6. Synthesis, conformational and NQR analysis of phosphoric triamides containing the P(O)[N]3 skeleton

    NASA Astrophysics Data System (ADS)

    Shariatinia, Zahra; Della Védova, Carlos O.; Erben, Mauricio F.; Tavasolinasab, Vahid; Gholivand, Khodayar

    2012-09-01

    New phosphoric triamides with general formula P(O)X3 where X = N-4-methylpiperazinyl (1), N-4-phenylpiperazinyl (2), N-4-ethoxycarbonyl piperazinyl (3), N-2-tetrahydrofurfuryl (4) were synthesized and characterized by 1H, 13C, 31P NMR, IR, Mass spectroscopy and elemental analysis. The molecular structure for compounds 1-4 were obtained by using quantum chemical calculations (HF and B3LYP methods with the 6-31+G∗∗ basis set). Moreover, optimized structures for previously reported 4-FC6H4C(O)NHP(O)X2 phosphoric triamides, X = pyrrolidin-1-yl (5), piperidin-1-yl (6) and hexamethyleneimin-1-yl (7) were obtained using the solid state structure (CIF files) as a starting point for the gas phase computation in which all independent molecules in structures 6 (seven structures) and 7 (two structures) were included. The computed results were in good agreement with the data obtained from the X-ray crystal structures reported earlier. The nuclear quadrupole coupling constants (NQCCs or χs) were calculated about 5.0 and 10.0 MHz for the 17O atoms of Pdbnd O and Cdbnd O bonds. For nitrogen atoms bonded to the phosphorus the NQCCs were found in the range between 4.0 and 5.5 MHz, whereas for compounds 4-7, the expected values for amidic hydrogen atoms are near 300 kHz.

  7. "Fast Excitation" CID in Quadrupole Ion Trap Mass Spectrometer

    SciTech Connect

    Murrell, J.; Despeyroux, D.; Lammert, Stephen {Steve} A; Stephenson Jr, James {Jim} L; Goeringer, Doug

    2003-01-01

    Collision-induced dissociation (CID) in a quadrupole ion trap mass spectrometer is usually performed by applying a small amplitude excitation voltage at the same secular frequency as the ion of interest. Here we disclose studies examining the use of large amplitude voltage excitations (applied for short periods of time) to cause fragmentation of the ions of interest. This process has been examined using leucine enkephalin as the model compound and the motion of the ions within the ion trap simulated using ITSIM. The resulting fragmentation information obtained is identical with that observed by conventional resonance excitation CID. ''Fast excitation'' CID deposits (as determined by the intensity ratio of the a{sub 4}/b{sub 4} ion of leucine enkephalin) approximately the same amount of internal energy into an ion as conventional resonance excitation CID where the excitation signal is applied for much longer periods of time. The major difference between the two excitation techniques is the higher rate of excitation (gain in kinetic energy) between successive collisions with helium atoms with ''fast excitation'' CID as opposed to the conventional resonance excitation CID. With conventional resonance excitation CID ions fragment while the excitation voltage is still being applied whereas for ''fast excitation'' CID a higher proportion of the ions fragment in the ion cooling time following the excitation pulse. The fragmentation of the (M + 17H){sup 17+} of horse heart myoglobin is also shown to illustrate the application of ''fast excitation'' CID to proteins.

  8. Heavy ion plasma confinement in an RF quadrupole trap

    NASA Technical Reports Server (NTRS)

    Schermann, J.; Major, F. G.

    1971-01-01

    The confinement of an electron free plasma in a pure quadrupole RF electric trap was considered. The ultimate goal was to produce a large density of mercury ions, in order to realize a trapped ion frequency standard using the hyperfine resonance of 199 Hg(+) at 40.7 GHz. An attempt was made to obtain an iodine plasma consisting of equal numbers of positive and negative ions of atomic iodine, the positive iodine ions, being susceptible to charge-exchange with mercury atoms, will produce the desired mercury ions. The experiment showed that the photoproduction of ions pairs in iodine using the necessary UV radiation occurs with a small cross-section, making it difficult to demonstrate the feasibility of space charge neutralization in a quadrupole trap. For this reason it was considered expedient to choose thallium iodide, which has a more favorable absorption spectrum (in the region of 2000 to 2100 A). The results indicate that, although the ionic recombination is a serious limiting factor, a considerable improvement can be obtained in practice for the density of trapped ions, with a considerable advantage in lifetimes for spectroscopic purposes. The ion pair formation by photoionization is briefly reviewed.

  9. Induced CMB quadrupole from pointing offsets

    NASA Astrophysics Data System (ADS)

    Moss, Adam; Scott, Douglas; Sigurdson, Kris

    2011-01-01

    Recent claims in the literature have suggested that the WMAP quadrupole is not primordial in origin, and arises from an aliasing of the much larger dipole field because of incorrect satellite pointing. We attempt to reproduce this result and delineate the key physics leading to the effect. We find that, even if real, the induced quadrupole would be smaller than the WMAP value. We discuss reasons why the WMAP data are unlikely to suffer from this particular systematic effect, including the implications for observations of point sources. Given this evidence against the reality of the effect, the similarity between the pointing-offset-induced signal and the actual quadrupole then appears to be quite puzzling. However, we find that the effect arises from a convolution between the gradient of the dipole field and anisotropic coverage of the scan direction at each pixel. There is something of a directional conspiracy here — the dipole signal lies close to the Ecliptic Plane, and its direction, together with the WMAP scan strategy, results in a strong coupling to the Y2, -1 component in Ecliptic co-ordinates. The dominant strength of this component in the measured quadrupole suggests that one should exercise increased caution in interpreting its estimated amplitude. The Planck satellite has a different scan strategy which does not so directly couple the dipole and quadrupole in this way and will soon provide an independent measurement.

  10. Induced CMB quadrupole from pointing offsets

    SciTech Connect

    Moss, Adam; Scott, Douglas; Sigurdson, Kris E-mail: dscott@phas.ubc.ca

    2011-01-01

    Recent claims in the literature have suggested that the WMAP quadrupole is not primordial in origin, and arises from an aliasing of the much larger dipole field because of incorrect satellite pointing. We attempt to reproduce this result and delineate the key physics leading to the effect. We find that, even if real, the induced quadrupole would be smaller than the WMAP value. We discuss reasons why the WMAP data are unlikely to suffer from this particular systematic effect, including the implications for observations of point sources. Given this evidence against the reality of the effect, the similarity between the pointing-offset-induced signal and the actual quadrupole then appears to be quite puzzling. However, we find that the effect arises from a convolution between the gradient of the dipole field and anisotropic coverage of the scan direction at each pixel. There is something of a directional conspiracy here — the dipole signal lies close to the Ecliptic Plane, and its direction, together with the WMAP scan strategy, results in a strong coupling to the Y{sub 2,−1} component in Ecliptic co-ordinates. The dominant strength of this component in the measured quadrupole suggests that one should exercise increased caution in interpreting its estimated amplitude. The Planck satellite has a different scan strategy which does not so directly couple the dipole and quadrupole in this way and will soon provide an independent measurement.

  11. Laboratory Automation of a Quadrupole Mass Spectrometer

    NASA Technical Reports Server (NTRS)

    Thompson, J. M.

    1983-01-01

    Efforts directed toward interfacing an LSI II bus of a PDP 11/23 desktop computer with a quadrupole mass spectrometer for the purpose of providing a convenient system whereby mass spectral data, of the products of thermal decomposition, may be rapidly acquired and processed under programmed conditions are described. The versatility and operations of the quadrupole mass spectrometer are discussed as well as the procedure for configurating the LSI II bus of the PDP 11/23 desktop computer for interfacing with the quadrupole mass spectrometer system. Data from the mass filter and other units of the spectrometer are digitally transferred to the computer whereupon mass spectral data and related data are generated.

  12. Laboratory automation of a quadrupole mass spectrometer

    NASA Astrophysics Data System (ADS)

    Thompson, J. M.

    1983-12-01

    Efforts directed toward interfacing an LSI II bus of a PDP 11/23 desktop computer with a quadrupole mass spectrometer for the purpose of providing a convenient system whereby mass spectral data, of the products of thermal decomposition, may be rapidly acquired and processed under programmed conditions are described. The versatility and operations of the quadrupole mass spectrometer are discussed as well as the procedure for configurating the LSI II bus of the PDP 11/23 desktop computer for interfacing with the quadrupole mass spectrometer system. Data from the mass filter and other units of the spectrometer are digitally transferred to the computer whereupon mass spectral data and related data are generated.

  13. The large quadrupole of water molecules.

    PubMed

    Niu, Shuqiang; Tan, Ming-Liang; Ichiye, Toshiko

    2011-04-01

    Many quantum mechanical calculations indicate water molecules in the gas and liquid phase have much larger quadrupole moments than any of the common site models of water for computer simulations. Here, comparisons of multipoles from quantum mechanical∕molecular mechanical (QM∕MM) calculations at the MP2∕aug-cc-pVQZ level on a B3LYP∕aug-cc-pVQZ level geometry of a waterlike cluster and from various site models show that the increased square planar quadrupole can be attributed to the p-orbital character perpendicular to the molecular plane of the highest occupied molecular orbital as well as a slight shift of negative charge toward the hydrogens. The common site models do not account for the p-orbital type electron density and fitting partial charges of TIP4P- or TIP5P-type models to the QM∕MM dipole and quadrupole give unreasonable higher moments. Furthermore, six partial charge sites are necessary to account reasonably for the large quadrupole, and polarizable site models will not remedy the problem unless they account for the p-orbital in the gas phase since the QM calculations show it is present there too. On the other hand, multipole models by definition can use the correct multipoles and the electrostatic potential from the QM∕MM multipoles is much closer than that from the site models to the potential from the QM∕MM electron density. Finally, Monte Carlo simulations show that increasing the quadrupole in the soft-sticky dipole-quadrupole-octupole multipole model gives radial distribution functions that are in good agreement with experiment. PMID:21476758

  14. The Large Quadrupole of Water Molecules

    SciTech Connect

    Niu, Shuqiang; Tan, Ming-Liang; Ichiye, Toshhiko

    2011-04-07

    Many quantum mechanical calculations indicate water molecules in the gas and liquid phase have much larger quadrupole moments than any of the common site models of water for computer simulations. Here, comparisons of multipoles from quantum mechanical/molecular mechanical (QM/MM) calculations at the MP2/aug-cc-pVQZ level on a B3LYP/aug-cc-pVQZ level geometry of a waterlike cluster and from various site models show that the increased square planar quadrupole can be attributed to the p-orbital character perpendicular to the molecular plane of the highest occupied molecular orbital as well as a slight shift of negative charge toward the hydrogens. The common site models do not account for the p-orbital type electron density and fitting partial charges of TIP4P- or TIP5P-type models to the QM/MM dipole and quadrupole give unreasonable higher moments. Furthermore, six partial charge sites are necessary to account reasonably for the large quadrupole, and polarizable site models will not remedy the problem unless they account for the p-orbital in the gas phase since the QM calculations show it is present there too. On the other hand, multipole models by definition can use the correct multipoles and the electrostatic potential from the QM/MM multipoles is much closer than that from the site models to the potential from the QM/MM electron density. Finally, Monte Carlo simulations show that increasing the quadrupole in the soft-sticky dipole-quadrupole-octupole multipole model gives radial distribution functions that are in good agreement with experiment

  15. The large quadrupole of water molecules

    NASA Astrophysics Data System (ADS)

    Niu, Shuqiang; Tan, Ming-Liang; Ichiye, Toshiko

    2011-04-01

    Many quantum mechanical calculations indicate water molecules in the gas and liquid phase have much larger quadrupole moments than any of the common site models of water for computer simulations. Here, comparisons of multipoles from quantum mechanical/molecular mechanical (QM/MM) calculations at the MP2/aug-cc-pVQZ level on a B3LYP/aug-cc-pVQZ level geometry of a waterlike cluster and from various site models show that the increased square planar quadrupole can be attributed to the p-orbital character perpendicular to the molecular plane of the highest occupied molecular orbital as well as a slight shift of negative charge toward the hydrogens. The common site models do not account for the p-orbital type electron density and fitting partial charges of TIP4P- or TIP5P-type models to the QM/MM dipole and quadrupole give unreasonable higher moments. Furthermore, six partial charge sites are necessary to account reasonably for the large quadrupole, and polarizable site models will not remedy the problem unless they account for the p-orbital in the gas phase since the QM calculations show it is present there too. On the other hand, multipole models by definition can use the correct multipoles and the electrostatic potential from the QM/MM multipoles is much closer than that from the site models to the potential from the QM/MM electron density. Finally, Monte Carlo simulations show that increasing the quadrupole in the soft-sticky dipole-quadrupole-octupole multipole model gives radial distribution functions that are in good agreement with experiment.

  16. SKEW QUADRUPOLE FOCUSING LATTICES AND APPLICATIONS.

    SciTech Connect

    PARKER,B.

    2001-06-18

    In this paper we revisit using skew quadrupole fields in place of traditional normal upright quadrupole fields to make beam focusing structures. We illustrate by example skew lattice decoupling, dispersion suppression and chromatic correction using the neutrino factory Study-II muon storage ring design. Ongoing BNL investigation of flat coil magnet structures that allow building a very compact muon storage ring arc and other flat coil configurations that might bring significant magnet cost reduction to a VLHC motivate our study of skew focusing.

  17. The nuclear electric quadrupole moment of copper.

    PubMed

    Santiago, Régis Tadeu; Teodoro, Tiago Quevedo; Haiduke, Roberto Luiz Andrade

    2014-06-21

    The nuclear electric quadrupole moment (NQM) of the (63)Cu nucleus was determined from an indirect approach by combining accurate experimental nuclear quadrupole coupling constants (NQCCs) with relativistic Dirac-Coulomb coupled cluster calculations of the electric field gradient (EFG). The data obtained at the highest level of calculation, DC-CCSD-T, from 14 linear molecules containing the copper atom give rise to an indicated NQM of -198(10) mbarn. Such result slightly deviates from the previously accepted standard value given by the muonic method, -220(15) mbarn, although the error bars are superimposed. PMID:24806277

  18. Electric quadrupole transition probabilities for atomic lithium

    SciTech Connect

    Çelik, Gültekin; Gökçe, Yasin; Yıldız, Murat

    2014-05-15

    Electric quadrupole transition probabilities for atomic lithium have been calculated using the weakest bound electron potential model theory (WBEPMT). We have employed numerical non-relativistic Hartree–Fock wavefunctions for expectation values of radii and the necessary energy values have been taken from the compilation at NIST. The results obtained with the present method agree very well with the Coulomb approximation results given by Caves (1975). Moreover, electric quadrupole transition probability values not existing in the literature for some highly excited levels have been obtained using the WBEPMT.

  19. Magnetic Measurement Results of the LCLS Undulator Quadrupoles

    SciTech Connect

    Anderson, Scott; Caban, Keith; Nuhn, Heinz-Dieter; Reese, Ed; Wolf, Zachary; /SLAC

    2011-08-18

    This note details the magnetic measurements and the magnetic center fiducializations that were performed on all of the thirty-six LCLS undulator quadrupoles. Temperature rise, standardization reproducibility, vacuum chamber effects and magnetic center reproducibility measurements are also presented. The Linac Coherent Light Source (LCLS) undulator beam line has 33 girders, each with a LCLS undulator quadrupole which focuses and steers the beam through the beam line. Each quadrupole has main quadrupole coils, as well as separate horizontal and vertical trim coils. Thirty-six quadrupoles, thirty-three installed and three spares were, manufactured for the LCLS undulator system and all were measured to confirm that they met requirement specifications for integrated gradient, harmonics and for magnetic center shifts after current changes. The horizontal and vertical dipole trims of each quadrupole were similarly characterized. Each quadrupole was also fiducialized to its magnetic center. All characterizing measurements on the undulator quads were performed with their mirror plates on and after a standardization of three cycles from -6 to +6 to -6 amps. Since the undulator quadrupoles could be used as a focusing or defocusing magnet depending on their location, all quadrupoles were characterized as focusing and as defocusing quadrupoles. A subset of the undulator quadrupoles were used to verify that the undulator quadrupole design met specifications for temperature rise, standardization reproducibility and magnetic center reproducibility after splitting. The effects of the mirror plates on the undulator quadrupoles were also measured.

  20. Simple expressions of the nuclear relaxation rate enhancement due to quadrupole nuclei in slowly tumbling molecules

    NASA Astrophysics Data System (ADS)

    Fries, Pascal H.; Belorizky, Elie

    2015-07-01

    For slowly tumbling entities or quasi-rigid lattices, we derive very simple analytical expressions of the quadrupole relaxation enhancement (QRE) of the longitudinal relaxation rate R1 of nuclear spins I due to their intramolecular magnetic dipolar coupling with quadrupole nuclei of arbitrary spins S ≥ 1. These expressions are obtained by using the adiabatic approximation for evaluating the time evolution operator of the quantum states of the quadrupole nuclei S. They are valid when the gyromagnetic ratio of the spin S is much smaller than that of the spin I. The theory predicts quadrupole resonant peaks in the dispersion curve of R1 vs magnetic field. The number, positions, relative intensities, Lorentzian shapes, and widths of these peaks are explained in terms of the following properties: the magnitude of the quadrupole Hamiltonian and the asymmetry parameter of the electric field gradient (EFG) acting on the spin S, the S-I inter-spin orientation with respect to the EFG principal axes, the rotational correlation time of the entity carrying the S-I pair, and/or the proper relaxation time of the spin S. The theory is first applied to protein amide protons undergoing dipolar coupling with fast-relaxing quadrupole 14N nuclei and mediating the QRE to the observed bulk water protons. The theoretical QRE agrees well with its experimental counterpart for various systems such as bovine pancreatic trypsin inhibitor and cartilages. The anomalous behaviour of the relaxation rate of protons in synthetic aluminium silicate imogolite nano-tubes due to the QRE of 27Al (S = 5/2) nuclei is also explained.

  1. Simple expressions of the nuclear relaxation rate enhancement due to quadrupole nuclei in slowly tumbling molecules

    SciTech Connect

    Fries, Pascal H.; Belorizky, Elie

    2015-07-28

    For slowly tumbling entities or quasi-rigid lattices, we derive very simple analytical expressions of the quadrupole relaxation enhancement (QRE) of the longitudinal relaxation rate R{sub 1} of nuclear spins I due to their intramolecular magnetic dipolar coupling with quadrupole nuclei of arbitrary spins S ≥ 1. These expressions are obtained by using the adiabatic approximation for evaluating the time evolution operator of the quantum states of the quadrupole nuclei S. They are valid when the gyromagnetic ratio of the spin S is much smaller than that of the spin I. The theory predicts quadrupole resonant peaks in the dispersion curve of R{sub 1} vs magnetic field. The number, positions, relative intensities, Lorentzian shapes, and widths of these peaks are explained in terms of the following properties: the magnitude of the quadrupole Hamiltonian and the asymmetry parameter of the electric field gradient (EFG) acting on the spin S, the S-I inter-spin orientation with respect to the EFG principal axes, the rotational correlation time of the entity carrying the S–I pair, and/or the proper relaxation time of the spin S. The theory is first applied to protein amide protons undergoing dipolar coupling with fast-relaxing quadrupole {sup 14}N nuclei and mediating the QRE to the observed bulk water protons. The theoretical QRE agrees well with its experimental counterpart for various systems such as bovine pancreatic trypsin inhibitor and cartilages. The anomalous behaviour of the relaxation rate of protons in synthetic aluminium silicate imogolite nano-tubes due to the QRE of {sup 27}Al (S = 5/2) nuclei is also explained.

  2. Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 14N quadrupole moments

    NASA Astrophysics Data System (ADS)

    Sicilia, E.; de Luca, G.; Chiodo, S.; Russo, N.; Calaminici, P.; Koster, A. M.; Jug, K.

    Density functional calculations of the electric field gradient tensor at the nitrogen nucleus in 13 test molecules, containing 14 nitrogen sites, have been performed using the linear combination of Gaussian-type orbital Kohn-Sham density functional theory (LCGTO-KSDFT) approach. Local and gradient corrected functionals were used for all-electron calculations. All the molecular structures were optimized at their respective levels of theory with extended basis sets. Calibrated 14N nuclear quadrupole moments were obtained through a fitting procedure between calculated electric field gradients and experimental nuclear quadrupole coupling constants of the test set of molecules for each basis set and functional considered. With these calibrated 14N nuclear quadrupole moments, the nuclear quadrupole coupling constants of the following selected systems were determined: fluoromethylisonitrile, pyridine, pyrrole, imadazole, pyrazole, 1,8-bis(dimethyl-amino)naphthalene, cyclotetramethylenetetranitramine, cocaine and heroin.

  3. NMR and NQR study of Si-doped (6,0) zigzag single-walled aluminum nitride nanotube as n or P-semiconductors.

    PubMed

    Baei, Mohammad T; Peyghan, Ali Ahmadi; Tavakoli, Khadijeh; Babaheydari, Ali Kazemi; Moghimi, Masoumeh

    2012-09-01

    Density functional theory (DFT) calculations were performed to investigate the electronic structure properties of pristine and Si-doped aluminum nitride nanotubes as n or P-semiconductors at the B3LYP/6-31G* level of theory in order to evaluate the influence of Si-doped in the (6,0) zigzag AlNNTs. We extended the DFT calculation to predict the electronic structure properties of Si-doped aluminum nitride nanotubes, which are very important for production of solid-state devices and other applications. To this aim, pristine and Si-doped AlNNT structures in two models (Si(N) and Si(Al)) were optimized, and then the electronic properties, the isotropic (CS(I)) and anisotropic (CS(A)) chemical shielding parameters for the sites of various (27)Al and (14)N atoms, NQR parameters for the sites of various of (27)Al and (14)N atoms, and quantum molecular descriptors were calculated in the optimized structures. The optimized structures, the electronic properties, NMR and NQR parameters, and quantum molecular descriptors for the Si(N) and Si(Al) models show that the Si(N) model is a more reactive material than the pristine or Si(Al) model. PMID:22588584

  4. Quench antennas for RHIC quadrupole magnets

    SciTech Connect

    Ogitsu, T.; Terashima, A.; Tsuchiya, K.; Ganetis, G.; Muratore, J.; Wanderer, P.

    1995-05-01

    Quench antennas for RHIC quadrupole magnets are being developed jointly by KEK and BNL. A quench antenna is a device to localize a quench origin using arrays of pick-up coils lined up along the magnet bore. Each array contains four pick-up coils: sensitive to normal sextupole, skew sextupole, normal octupole, and skew octupole field. This array configuration allows an azimuthal localization of a quench front while a series of arrays gives an axial localization and a quench propagation velocity. Several antennas have been developed for RHIC magnets and they are now routinely used for quench tests of production magnets. The paper discusses the description of the method and introduces a measured example using an antenna designed for quadrupole magnets.

  5. On quadrupole vibrations in nearly spherical nuclei

    NASA Astrophysics Data System (ADS)

    Yates, S. W.

    2012-09-01

    A new understanding of low-lying quadrupole vibrations in nuclei is emerging through lifetime measurements performed with fast neutrons at the accelerator laboratory of the University of Kentucky in combination with high-sensitivity measurements with other probes. In the stable cadmium nuclei, which have long been considered to be the best examples of vibrational behavior, we find that many E2 transition probabilities are well below harmonic vibrator expectations, and the B(E2)s cannot be explained with calculations incorporating configuration mixing between vibrational phonon states and intruder excitations. These data place severe limits on the collective models, and it is suggested that the low-lying levels of the Cd isotopes may not be of vibrational origin. An additional example of an apparent quadrupole vibrational nucleus, 62Ni, is considered.

  6. Permanent-magnet quadrupoles in RFQ Linacs

    SciTech Connect

    Lysenko, W.P.; Wang, T.F.

    1985-10-01

    We investigated the possibility of increasing the current-carrying capability of radio-frequency quadrupole (RFQ) linear accelerators by adding permanentmagnet quadrupole (PMQ) focusing to the existing transverse focusing provided by the rf electric field. Increased transverse focusing would also allow shortening RFQ linacs by permitting a larger accelerating gradient, which is normally accompanied by an undesirable increased transverse rf defocusing effect. We found that PMQs were not helpful in increasing the transverse focusing strength in an RFQ. This conclusion was reached after some particle tracing simulations and some analytical calculations. In our parameter regime, the addition of the magnets increases the betatron frequency but does not result in improved focusing because the increased flutter more than offsets the gain from the increased betatron frequency.

  7. Electrostatic quadrupole DC accelerators for BNCT applications

    SciTech Connect

    Kwan, J.W.; Anderson, O.A.; Reginato, L.L.; Vella, M.C.; Yu, S.S.

    1994-04-01

    A dc electrostatic quadrupole (ESQ) accelerator is capable of producing a 2.5 MeV, 100 mA proton beam for the purpose of generating neutrons for Boron Neutron Capture Therapy. The ESQ accelerator is better than the conventional aperture column in high beam current application due to the presence of stronger transverse field for beam focusing and for suppressing secondary electrons. The major challenge in this type of accelerator is in developing the proper power supply system.

  8. Muon cooling in a quadrupole magnet channel

    SciTech Connect

    Neuffer, David; Poklonskiy, A.; /Michigan State U.

    2007-10-01

    As discussed before,[1] a cooling channel using quadrupole magnets in a FODO transport channel can be used for initial cooling of muons. In the present note we discuss this possibility of a FODO focusing channel for cooling, and we present ICOOL simulations of muon cooling within a FODO channel. We explore a 1.5m cell-length cooling channel that could be used for the initial transverse cooling stage of a muon collider or neutrino factory.

  9. 15 T And Beyond - Dipoles and Quadrupoles

    SciTech Connect

    Sabbi, GianLuca

    2008-05-19

    Starting with the invention of the cyclotron by Lawrence, accelerator-based experiments have been the primary source of new discoveries in particle physics. In order to progress toward higher energy and luminosity, higher field magnets are required. R&D programs are underway to take advantage of new developments in superconducting materials, achieve better efficiency and simplify magnet fabrication while preserving accelerator-class field quality. A review of recent progress on high field dipole and quadrupole magnets is presented.

  10. Table of nuclear electric quadrupole moments

    NASA Astrophysics Data System (ADS)

    Stone, N. J.

    2016-09-01

    This Table is a compilation of experimental measurements of static electric quadrupole moments of ground states and excited states of atomic nuclei throughout the periodic table. To aid identification of the states, their excitation energy, half-life, spin and parity are given, along with a brief indication of the method and any reference standard used in the particular measurement. Experimental data from all quadrupole moment measurements actually provide a value of the product of the moment and the electric field gradient [EFG] acting at the nucleus. Knowledge of the EFG is thus necessary to extract the quadrupole moment. A single recommended moment value is given for each state, based, for each element, wherever possible, upon a standard reference moment for a nuclear state of that element studied in a situation in which the electric field gradient has been well calculated. For several elements one or more subsidiary EFG/moment reference is required and their use is specified. The literature search covers the period to mid-2015.

  11. Two-color photoexcitation of Rydberg states via an electric quadrupole transition

    SciTech Connect

    Li Leping; Gu Quanli; Knee, J. L.; Wright, J. D.; DiSciacca, J. M.; Morgan, T. J.

    2008-03-15

    We report the observation of an electric quadrupole transition between the 4s{sup '}[1/2]{sub 0}{sup o} and 3d[3/2]{sub 2}{sup o} states in the spectrum of argon and use it in the first step of a scheme to excite Rydberg states. The initial identification of the transition is based on one-color, two-photon photoionization. A different experiment utilizing two-color, two-photon photoexcitation to Rydberg states confirms the identification. Despite the unavoidable background of one-color, two-photon photoionization, the latter experimental technique makes possible two-photon spectroscopy of Rydberg states using a resonant intermediate state populated by an electric quadrupole transition.

  12. Photoassociation of a cold-atom-molecule pair: Long-range quadrupole-quadrupole interactions

    SciTech Connect

    Lepers, M.; Dulieu, O.; Kokoouline, V.

    2010-10-15

    The general formalism of the multipolar expansion of electrostatic interactions is applied to the calculation of the potential energy between an excited atom (without fine structure) and a ground-state diatomic molecule at large mutual separations. Both partners exhibit a permanent quadrupole moment so that their mutual long-range interaction is dominated by a quadrupole-quadrupole term, which is attractive enough to bind trimers. Numerical results are given for an excited Cs(6{sup 2}P) atom and a ground-state Cs{sub 2} molecule. The prospects for achieving photoassociation of a cold-atom-dimer pair are thus discussed and found promising. The formalism can be generalized to the long-range interaction between molecules to investigate the formation of cold tetramers.

  13. Spatially periodic radio-frequency quadrupole focusing linac

    NASA Astrophysics Data System (ADS)

    Kolomiets, A. A.; Plastun, A. S.

    2015-12-01

    The new design for a spatially periodical rf quadrupole focusing linac is proposed. It consists of accelerating gaps formed between conventional cylindrical drift tubes, between drift tubes and rf quadrupoles with nonzero axial potential, and inside these rf quadrupoles, formed in the same way as in a conventional radio-frequency quadrupole (RFQ) linac with modulated electrodes. Such a combination provides both higher energy gain rate than conventional RFQ and stability of transverse motion for ion beams. The structure can be designed using various combinations of quadrupoles and drift tubes. Some options are considered in the paper using the smooth approximation method and computer simulation of beam dynamics. Transverse stability of particles has been studied. The proposed structure can provide suppression of rf defocusing effects on transverse beam dynamics. Some limitations of the spatially periodic rf quadrupole structure are mentioned.

  14. Ab initio correlated calculations of rare-gas dimer quadrupoles

    NASA Astrophysics Data System (ADS)

    Donchev, Alexander G.

    2007-10-01

    This paper reports ab initio calculations of rare gas ( RG=Kr , Ar, Ne, and He) dimer quadrupoles at the second order of Møller-Plesset perturbation theory (MP2). The study reveals the crucial role of the dispersion contribution to the RG2 quadrupole in the neighborhood of the equilibrium dimer separation. The magnitude of the dispersion quadrupole is found to be much larger than that predicted by the approximate model of Hunt. As a result, the total MP2 quadrupole moment is significantly smaller than was assumed in virtually all previous related studies. An analytical model for the distance dependence of the RG2 quadrupole is proposed. The model is based on the effective-electron approach of Jansen, but replaces the original Gaussian approximation to the electron density in an RG atom by an exponential one. The role of the nonadditive contribution in RG3 quadrupoles is discussed.

  15. Aberrations caused by mechanical misalignments in electrostatic quadrupole lens systems

    NASA Astrophysics Data System (ADS)

    Baranova, L. A.; Read, F. H.

    Image aberrations resulting from small misalignments in quadrupole lenses multiplets have been analysed. Analytical formulas for the coefficients of the beam displacement, astigmatism and coma associated with misalignments in a general quadrupole lens system have been derived. Numerical computations of systems of three and four quadrupole lenses have also been carried out. The aberration figures obtained for systems with and without a mechanical defect are compared. The aberration coefficients that have been obtained can be used for estimating tolerance limits for lens misalignments.

  16. Two methods of computing molecular dipole and quadrupole derivatives

    NASA Astrophysics Data System (ADS)

    Lazzeretti, P.; Zanasi, R.; Fowler, P. W.

    1988-01-01

    Polarized basis sets are used to compute dipole and quadrupole derivatives of the hydrides LiH, CH4, NH3, H2O, and HF. Analytic calculation of derivatives is compared with calculation via the dipole and quadrupole electric shielding tensors. With these basis sets, violation of the Hellmann-Feynman theorem is only about 0.01 a.u. in dipole derivatives and 0.02 a.u. in quadrupole derivatives.

  17. Applications of Nanoscale NMR Using Ensembles of NV Centers in Diamond

    NASA Astrophysics Data System (ADS)

    Bucher, Dominik; Glenn, David; Walsworth, Ronald

    2016-05-01

    Ensembles of nitrogen vacancy (NV) centers in diamond are now the frontier modality for nuclear magnetic resonance (NMR) signals at length-scales of microns to Angstroms. Promising applications including NMR and nuclear quadrupole resonance (NQR) spectroscopy in sub-nanoliter volumes, studies of diffusion and transport in small samples of biological tissue, and magnetic resonance imaging (MRI) of individual biological cells and molecules. Here, we describe recent progress toward such applications.

  18. ANALYTICAL SOLUTIONS OF SINGULAR ISOTHERMAL QUADRUPOLE LENS

    SciTech Connect

    Chu Zhe; Lin, W. P.; Yang Xiaofeng E-mail: linwp@shao.ac.cn

    2013-06-20

    Using an analytical method, we study the singular isothermal quadrupole (SIQ) lens system, which is the simplest lens model that can produce four images. In this case, the radial mass distribution is in accord with the profile of the singular isothermal sphere lens, and the tangential distribution is given by adding a quadrupole on the monopole component. The basic properties of the SIQ lens have been studied in this Letter, including the deflection potential, deflection angle, magnification, critical curve, caustic, pseudo-caustic, and transition locus. Analytical solutions of the image positions and magnifications for the source on axes are derived. We find that naked cusps will appear when the relative intensity k of quadrupole to monopole is larger than 0.6. According to the magnification invariant theory of the SIQ lens, the sum of the signed magnifications of the four images should be equal to unity, as found by Dalal. However, if a source lies in the naked cusp, the summed magnification of the left three images is smaller than the invariant 1. With this simple lens system, we study the situations where a point source infinitely approaches a cusp or a fold. The sum of the magnifications of the cusp image triplet is usually not equal to 0, and it is usually positive for major cusps while negative for minor cusps. Similarly, the sum of magnifications of the fold image pair is usually not equal to 0 either. Nevertheless, the cusp and fold relations are still equal to 0 in that the sum values are divided by infinite absolute magnifications by definition.

  19. Thermogravimetric-quadrupole mass-spectrometric analysis of geochemical samples.

    NASA Technical Reports Server (NTRS)

    Gibson, E. K., Jr.; Johnson, S. M.

    1972-01-01

    Thermogravimetric-quadrupole mass-spectrometric-analysis techniques can be used to study a wide variety of problems involving decomposition processes and identification of released volatile components. A recording vacuum thermoanalyzer has been coupled with a quadrupole mass spectrometer. The rapid scan capabilities of the quadrupole mass spectrometer are used to identify the gaseous components released. The capability of the thermogravimetric-quadrupole mass spectrometer to provide analytical data for identification of the released volatile components, for determination of their sequence of release and for correlation of thermal-decomposition studies is illustrated by an analysis of the Orgueil carbonaceous chondrite.

  20. Magnetic mirror structure for testing shell-type quadrupole coils

    SciTech Connect

    Andreev, N.; Barzi, E.; Bossert, R.; Chlachidze, G.; Kashikhin, V.S.; Kashikhin, V.V.; Lamm, M.J.; Nobrega, F.; Novitski, I.; Tartaglia, N.; Turrioni, D.; /Fermilab

    2009-10-01

    This paper presents magnetic and mechanical designs and analyses of the quadrupole mirror structure to test single shell-type quadrupole coils. Several quadrupole coils made of different Nb{sub 3}Sn strands, cable insulation and pole materials were tested using this structure at 4.5 and 1.9 K. The coils were instrumented with voltage taps, spot heaters, temperature sensors and strain gauges to study their mechanical and thermal properties and quench performance. The results of the quadrupole mirror model assembly and test are reported and discussed.

  1. Noise reduction in negative-ion quadrupole mass spectrometry

    DOEpatents

    Chastagner, Philippe

    1993-01-01

    A quadrupole mass spectrometer (QMS) system having an ion source, quadrupole mass filter, and ion collector/recorder system. A weak, transverse magnetic field and an electron collector are disposed between the quadrupole and ion collector. When operated in negative ion mode, the ion source produces a beam of primarily negatively-charged particles from a sample, including electrons as well as ions. The beam passes through the quadrupole and enters the magnetic field, where the electrons are deflected away from the beam path to the electron collector. The negative ions pass undeflected to the ion collector where they are detected and recorded as a mass spectrum.

  2. Noise reduction in negative-ion quadrupole mass spectrometry

    DOEpatents

    Chastagner, P.

    1993-04-20

    A quadrupole mass spectrometer (QMS) system is described having an ion source, quadrupole mass filter, and ion collector/recorder system. A weak, transverse magnetic field and an electron collector are disposed between the quadrupole and ion collector. When operated in negative ion mode, the ion source produces a beam of primarily negatively-charged particles from a sample, including electrons as well as ions. The beam passes through the quadrupole and enters the magnetic field, where the electrons are deflected away from the beam path to the electron collector. The negative ions pass undeflected to the ion collector where they are detected and recorded as a mass spectrum.

  3. Multi-Pass Quadrupole Mass Analyzer

    NASA Technical Reports Server (NTRS)

    Prestage, John D.

    2013-01-01

    Analysis of the composition of planetary atmospheres is one of the most important and fundamental measurements in planetary robotic exploration. Quadrupole mass analyzers (QMAs) are the primary tool used to execute these investigations, but reductions in size of these instruments has sacrificed mass resolving power so that the best present-day QMA devices are still large, expensive, and do not deliver performance of laboratory instruments. An ultra-high-resolution QMA was developed to resolve N2 +/CO+ by trapping ions in a linear trap quadrupole filter. Because N2 and CO are resolved, gas chromatography columns used to separate species before analysis are eliminated, greatly simplifying gas analysis instrumentation. For highest performance, the ion trap mode is used. High-resolution (or narrow-band) mass selection is carried out in the central region, but near the DC electrodes at each end, RF/DC field settings are adjusted to allow broadband ion passage. This is to prevent ion loss during ion reflection at each end. Ions are created inside the trap so that low-energy particles are selected by low-voltage settings on the end electrodes. This is beneficial to good mass resolution since low-energy particles traverse many cycles of the RF filtering fields. Through Monte Carlo simulations, it is shown that ions are reflected at each end many tens of times, each time being sent back through the central section of the quadrupole where ultrahigh mass filtering is carried out. An analyzer was produced with electrical length orders of magnitude longer than its physical length. Since the selector fields are sized as in conventional devices, the loss of sensitivity inherent in miniaturizing quadrupole instruments is avoided. The no-loss, multi-pass QMA architecture will improve mass resolution of planetary QMA instruments while reducing demands on the RF electronics for high-voltage/high-frequency production since ion transit time is no longer limited to a single pass. The

  4. Study of nuclear quadrupole interactions and quadrupole Raman processes of 69Ga and 71Ga in a β-Ga 2O 3:Cr 3+ single crystal

    NASA Astrophysics Data System (ADS)

    Yeom, Tae Ho; Lim, Ae Ran

    2009-10-01

    Nuclear magnetic resonance (NMR) data and the spin-lattice relaxation times, T1, of 69Ga and 71Ga nuclei in a β-Ga 2O 3:Cr 3+ single crystal were obtained using FT NMR spectrometry. Four sets of NMR spectra for 69Ga ( I = 3/2) and 71Ga ( I = 3/2) were obtained in the crystallographic planes. The 69Ga and 71Ga nuclei each had two chemically inequivalent Ga I and Ga II centers. Each of the 69Ga and 71Ga isotopes yielded two different central NMR resonance lines originating from Ga I and Ga II sites. The nuclear quadrupole coupling constants and asymmetry parameters of 69Ga I, 69Ga II, 71Ga I, and 71Ga II centers in a β-Ga 2O 3:Cr 3+ crystal were obtained. Analysis of the EFG tensor principal axes (PAs) for Ga nuclei and the ZFS tensor PAs for the Cr 3+ ion confirmed that the Cr 3+ paramagnetic impurity ion substitutes for the Ga 3+ ion in the oxygen octahedron. In addition, the temperature dependencies of the 69Ga and 71Ga relaxation rates were consistent with Raman processes, as T1-1 ∝ T2. Even though the Cr 3+ impurities are paramagnetic, the relaxations were dominated by electric quadrupole interactions of the nuclear spins in the temperature range investigated.

  5. Pulsed power supply system for the fast quadrupoles in the AGS

    SciTech Connect

    Nawrocky, R.J.; Lambiase, R.F.

    1983-01-01

    In the acceleration of polarized protons in the AGS, a number of depolarizing resonances will be encountered. Depolarization due to the so-called intrinsic resonances will be minimized by crossing each resonance in less than one beam revolution period (approx. 2 ..mu..s). This will be accomplished with a set of twelve fast tune-shifting quadrupoles distributed symmetrically around the ring. During a typical acceleration cycle, the fast quads will be energized with a burst of alternating polarity, fast rise/slow fall triangular current pulses. The amplitude of these pulses will vary from 160 A to about 2700 A peak. This paper describes the development of the pulsed power supply for the fast quads, the construction of a prototype modulator, and some of the initial test results obtained with the prototype.

  6. Quadrupole Collectivity in Neutron Deficient Sn Isotopes

    NASA Astrophysics Data System (ADS)

    Gade, Alexandra

    2014-03-01

    One of the overarching goals of nuclear physics is the development of a comprehensive model of the atomic nucleus with predictive power across the nuclear chart. Of particular importance for the development of nuclear models is experimental data that consistently track the effect of isospin and changed binding, for example. The chain of Sn isotopes has been a formidable testing ground for nuclear models as some spectroscopic data is available from N = Z = 50 100Sn in the proximity of the proton dripline to 134Sn, beyond the very neutron-rich doubly magic nucleus 132Sn. In even-even nuclei, the electromagnetic quadrupole excitation strength is a measure of quadrupole collectivity, sensitive to the presence of shell gaps, nuclear deformation, and nucleon-nucleon correlations, for example. In the Sn isotopes, this transition strength has been reported from 104Sn to 130Sn, spanning a chain of 14 even-even Sn isotopes. The trend is asymmetric with respect to midshell and not even the largest-scale shell-model calculations have been able to describe the evolution of transition strength across the isotopic chain without varying effective charges. Implications will be discussed. This work was supported by the National Science Foundation under Grant No. PHY-1102511.

  7. Quantum-state tomography for quadrupole nuclei and its application on a two-qubit system

    NASA Astrophysics Data System (ADS)

    Bonk, F. A.; Sarthour, R. S.; Deazevedo, E. R.; Bulnes, J. D.; Mantovani, G. L.; Freitas, J. C.; Bonagamba, T. J.; Guimarães, A. P.; Oliveira, I. S.

    2004-04-01

    A method for performing quantum state tomography for quadrupole nuclei is presented in this paper. First, it is shown that upon appropriate phase cycling, the nuclear-magnetic-resonance (NMR) intensities of quadrupole nuclei depend only on diagonal elements of the density-matrix. Thus, a method for obtaining the density-matrix elements, which consists of dragging off-diagonal elements into the main diagonal using fine phase-controlled selective radio-frequency pulses, was derived. The use of the method is exemplified through 23 Na NMR (nuclear spin I=3/2 ) in a lyotropic liquid crystal at room temperature, in three applications: (a) the tomography of pseudopure states, (b) the tomography of the quadrupole free evolution of the density matrix, and (c) the unitary state evolution of each qubit in the system over the Bloch sphere upon the application of a Hadamard gate. Further applications in the context of pure NMR and in the context of quantum information processing, as well as generalizations for higher spins, are discussed.

  8. Triple quadrupole linear ion trap mass spectrometer for the analysis of small molecules and macromolecules.

    PubMed

    Hopfgartner, Gérard; Varesio, Emmanuel; Tschäppät, Viviane; Grivet, Chantal; Bourgogne, Emmanuel; Leuthold, Luc Alexis

    2004-08-01

    Recently, linear ion traps (LITs) have been combined with quadrupole (Q), time-of-flight (TOF) and Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). LITs can be used either as ion accumulation devices or as commercially available, stand-alone mass spectrometers with MSn capabilities. The combination of triple quadrupole MS with LIT technology in the form of an instrument of configuration QqLIT, using axial ejection, is particularly interesting, because this instrument retains the classical triple quadrupole scan functions such as selected reaction monitoring (SRM), product ion (PI), neutral loss (NL) and precursor ion (PC) while also providing access to sensitive ion trap experiments. For small molecules, quantitative and qualitative analysis can be performed using the same instrument. In addition, for peptide analysis, the enhanced multiply charged (EMC) scan allows an increase in selectivity, while the time-delayed fragmentation (TDF) scan provides additional structural information. Various methods of operating the hybrid instrument are described for the case of the commercial Q TRAP (AB/MDS Sciex) and applications to drug metabolism analysis, quantitative confirmatory analysis, peptides analysis and automated nanoelectrospray (ESI-chip-MS) analysis are discussed. PMID:15329837

  9. Stabilized operation of the improvement of the Spallation Neutron Source (SNS) radio-frequency quadrupole (RFQ)

    SciTech Connect

    Kim, Sang-Ho; Aleksandrov, Alexander V; Crofford, Mark T; Galambos, John D; Gibson, Paul E; Hardek, Thomas W; Henderson, Stuart D; Kang, Yoon W; Kasemir, Kay; Peters, Charles C; Thompson, David H; Stockli, Martin P; Williams, Derrick C

    2010-01-01

    The Spallation Neutron Source (SNS) radio-frequency quadrupole (RFQ) had resonance control instabilities at duty factors higher than approximately four percent. Systematic investigations have been carried out to understand the cause of the instability and to ensure the operational stability of the RFQ. The most critical source of the instability is revealed to be an interaction between hydrogen released by beam bombardments and the RFQ RF field resulting in a discharge, which consumes additional RF power and could cause the RFQ to operate in an unstable region. This paper reports improvement of the SNS RFQ operational stability based on the findings during the SNS operation.

  10. An analytical solution for the electrical properties of a Radio Frequency Quadrupole (RFQ) with simple vanes

    NASA Astrophysics Data System (ADS)

    Lancaster, H.

    1982-02-01

    Although the SUPERFISH program is used for calculating the design parameters of an radio frequency quadrupole (RFQ) structure with complex vanes, an analytical solution for electrical properties of an RFQ with simple vanes provides insight into the parametric behavior of these more complicated resonators. The fields in an inclined plane wave guide with proper boundary conditions match those in one quadrant of an RFQ. The principle of duality is used to exploit the solutions to a radial transmission line in solving the field equations. Calculated are the frequency equation, frequency sensitivity factors (5), electric field (E), magnetic field (H), stored energy (U), power dissipation (P), and quality factor (Q).