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Articles 691 - 720 of 795

Full-Text Articles in Biological and Chemical Physics

Double Excitations Within Time-Dependent Density Functional Theory Linear Response, Neepa T. Maitra, Fan Zhang, Robert J. Cave, Kieron Burke Apr 2004

Double Excitations Within Time-Dependent Density Functional Theory Linear Response, Neepa T. Maitra, Fan Zhang, Robert J. Cave, Kieron Burke

All HMC Faculty Publications and Research

Within the adiabatic approximation, time-dependent density functional theory yields only single excitations. Near states of double excitation character, the exact exchange–correlation kernel has a strong dependence on frequency. We derive the exact frequency-dependent kernel when a double excitation mixes with a single excitation, well separated from the other excitations, in the limit that the electron–electron interaction is weak. Building on this, we construct a nonempirical approximation for the general case, and illustrate our results on a simple model.

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State-To-State Rotational Relaxation Rate Constants For Co+Ne From Ir-Ir Double-Resonance Experiments: Comparing Theory To Experiment, David A. Hostutler, Tony C. Smith, Gordon D. Hager, George C. Mcbane, Michael C. Heaven Jan 2004

State-To-State Rotational Relaxation Rate Constants For Co+Ne From Ir-Ir Double-Resonance Experiments: Comparing Theory To Experiment, David A. Hostutler, Tony C. Smith, Gordon D. Hager, George C. Mcbane, Michael C. Heaven

Peer Reviewed Articles

IR-IR double-resonance experiments were used to study the state-to-state rotational relaxation of CO with Ne as a collision partner. Rotational levels in the range Ji=2-9 were excited and collisional energy transfer of population to the levels Jf=2-8 was monitored. The resulting data set was analyzed by fitting to numerical solutions of the master equation. State-to-state rate constant matrices were generated using fitting law functions. Fitting laws based on the modifed exponential gap (MEG) and statistical power exponential gap (SPEG) models were used; the MEG model performed better than the SPEG model. A rate constant matrix was …

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Studies In Cardiac Defribrillation, Eamonn Mckenna Jan 2004

Studies In Cardiac Defribrillation, Eamonn Mckenna

Masters

Cardiac disease resulting in cardiac arrest is one of the most common fatal diseases in the developed world. Defibrillation is the medical procedure used to correct the irregular cardiac rhythm (ventricular fibrillation (VF)) which is very often detected in patients suffering cardiac arrest. In the work reported in this thesis, two aspects of the defibrillation of patients in VF were examined. The first area of investigation concentrated on the use of multiple defibrillation electrodes to be used during closed chest (transthoracic) defibrillation. This study was carried out in a saline bath and centred on “focusing” electric fields from perimeter electrodes …

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Performance Characteristics Of Beamline 6.3.1 From 200 Ev To 2000 Ev At The Advanced Light Source, Ponnusamy Nachimuthu, J. H. Underwood, C. D. Kemp, Eric M. Gullikson, Dennis W. Lindle, David K. Shuh, Rupert C. Perera Jan 2004

Performance Characteristics Of Beamline 6.3.1 From 200 Ev To 2000 Ev At The Advanced Light Source, Ponnusamy Nachimuthu, J. H. Underwood, C. D. Kemp, Eric M. Gullikson, Dennis W. Lindle, David K. Shuh, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

Bend magnet beamline 6.3.1 at the Advanced Light Source operates from 200 eV to 2000 eV, primarily used for x-ray absorption fine structure investigations. The beamline optics consist of a compact, entrance-slitless, Hettrick-Underwood type variable-line-spacing plane-grating monochromator and refocusing mirrors to provide a 25 μm × 500 μm spot at the focal point in the reflectometer end station. Wavelength is scanned by the simple rotation of the grating and illuminates a fixed exit slit. The LabView based beamline control and data acquisition computer code has been implemented to provide a convenient interface to the user. The dedicated end station is …

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State-To-State Rotational Rate Constants For Co+He: Infrared Double Resonance Measurements And Simulation Of The Data Using The Sapt Theoretical Potential Energy Surface, Tony C. Smith, David A. Hostutler, Gordon D. Hager, Michael C. Heaven, George C. Mcbane Nov 2003

State-To-State Rotational Rate Constants For Co+He: Infrared Double Resonance Measurements And Simulation Of The Data Using The Sapt Theoretical Potential Energy Surface, Tony C. Smith, David A. Hostutler, Gordon D. Hager, Michael C. Heaven, George C. Mcbane

Peer Reviewed Articles

An extensive data set of 54 time-resolved pump-probe measurements was used to examine CO+He rotational energy transfer within the CO v=2 rotational manifold. Rotational levels in the range Ji=2-9 were excited and collisional energy transfer of population to the levels Jf=1-10 was monitored. The resulting data set was analyzed by fitting to numerical solutions of the master equation. State-to-state rate constant matrices were generated using fitting law functions and ab initio theoretical calculations that employed the SAPT potential energy surface of Heijmen et al. [J. Chem. Phys. 107, 9921 (1997)]. Fitting laws based on …

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Photofragmentation Dynamics Of Core-Excited Water By Anion-Yield Spectroscopy, Wayne C. Stolte, M. M. Sant'anna, Gunnar Ohrwall, Maria Novella Piancastelli, I. Dominguez-Lopez, Dennis W. Lindle Aug 2003

Photofragmentation Dynamics Of Core-Excited Water By Anion-Yield Spectroscopy, Wayne C. Stolte, M. M. Sant'anna, Gunnar Ohrwall, Maria Novella Piancastelli, I. Dominguez-Lopez, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

Partial-anion and- cation yields from H2O are presented for photon energies near the oxygen K edge. The O- yield exhibits a feature above threshold attributed to doubly excited states, in contrast to the H- and cation yields, which are nearly featureless above threshold. Additionally, the lack of the OH- fragment indicates radiative decay and provides a negligible amount of anion formation.

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Development Of A Portable Carbon Monoxide Sensor Based On An External Cavity Diode Laser At 1565 Nm, Eva Shirley Norris Jan 2003

Development Of A Portable Carbon Monoxide Sensor Based On An External Cavity Diode Laser At 1565 Nm, Eva Shirley Norris

Theses

Carbon monoxide is a major trace gas pollutant with road traffic being responsible for most emissions. Work has been done on the development of a carbon monoxide sensor, which is potentially capable of measuring the gas in vehicle exhaust emissions. This is based on tunable diode laser absorption spectroscopy The device must distinguish carbon monoxide from other gas species and from particulate matter. The device should also operate with a response time of the order of one second, have the potential for portability and a capacity for remote operation. Experimental work presented compares and contrasts the characteristics of the free-running …

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Comparison Between The Ultraviolet Emission From Pulsed Microhollow Cathode Discharges In Xenon And Argon, Isfried Petzenhauser, Leopold D. Biborosch, Uwe Ernst, Klaus Frank, Karl H. Schoenbach Jan 2003

Comparison Between The Ultraviolet Emission From Pulsed Microhollow Cathode Discharges In Xenon And Argon, Isfried Petzenhauser, Leopold D. Biborosch, Uwe Ernst, Klaus Frank, Karl H. Schoenbach

Bioelectrics Publications

We measured the dynamic I–V characteristics and vacuum ultraviolet (VUV) emission lines of the second continuum in xenon (170 nm) and argon (130.5 nm) from pulsed microhollow cathode discharges (MHCD). For pulse lengths between 1 and 100 μs the dynamic I–V characteristics are similar in both inert gases. Only the time variation of the VUV emission line at 170 nm for xenon can be related to the dimer excited states. In argon the energy transfer between the Ar*2 dimers and the oxygen impurity atoms is responsible for a qualitatively different time behavior of the resonance line at 130.5 nm. …

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Fragmentation Processes Following Core Excitation In Acetylene And Ethylene By Partial Ion Yield Spectroscopy, Maria Novella Piancastelli, Wayne C. Stolte, Gunnar Ohrwall, S-W Yu, D. Bull, K. Lantz, Alfred S. Schlachter, Dennis W. Lindle Nov 2002

Fragmentation Processes Following Core Excitation In Acetylene And Ethylene By Partial Ion Yield Spectroscopy, Maria Novella Piancastelli, Wayne C. Stolte, Gunnar Ohrwall, S-W Yu, D. Bull, K. Lantz, Alfred S. Schlachter, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

Partial ion yield spectroscopy provides a very detailed picture of fragmentation processes following core excitation in isolated molecules. We exploit this potential in the analysis of decay processes following C1s→π and C1s→Rydberg excitations in ethylene and acetylene. We show that the relative intensity of spectral features related to the excitation to empty molecular orbitals or to Rydberg states is a function of the time variation of the fragmentation process. Namely, we see an intensity increase in the Rydberg states compared to the molecular orbitals as the fragmentation process becomes more extensive, a result attributable to the diffuse nature of the …

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Holographic Analysis Of Diffraction Structure Factors, S. Marchesini, N. Mannella, C. S. Fadley, M. A. Van Hove, J. J. Bucher, D. K. Shuh, L. Fabris, M. J. Press, M. W. West, Wayne C. Stolte, Z. Hussain Sep 2002

Holographic Analysis Of Diffraction Structure Factors, S. Marchesini, N. Mannella, C. S. Fadley, M. A. Van Hove, J. J. Bucher, D. K. Shuh, L. Fabris, M. J. Press, M. W. West, Wayne C. Stolte, Z. Hussain

Chemistry and Biochemistry Faculty Research

We combine the theory of inside-source/inside-detector x-ray fluorescence holography and Kossel lines/x ray standing waves in kinematic approximation to directly obtain the phases of the diffraction structure factors. The influence of Kossel lines and standing waves on holography is also discussed. We obtain partial phase determination from experimental data obtaining the sign of the real part of the structure factor for several reciprocal lattice vectors of a vanadium crystal.

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In-Situ X-Ray-Absorption Spectroscopy Study Of Hydrogen Absorption By Nickel-Magnesium Thin Films, B. Farangis, Ponnusamy Nachimuthu, T. J. Richardson, J. L. Slack, Rupert C. Perera, Eric M. Gullikson, Dennis W. Lindle, M. Rubin Jul 2002

In-Situ X-Ray-Absorption Spectroscopy Study Of Hydrogen Absorption By Nickel-Magnesium Thin Films, B. Farangis, Ponnusamy Nachimuthu, T. J. Richardson, J. L. Slack, Rupert C. Perera, Eric M. Gullikson, Dennis W. Lindle, M. Rubin

Chemistry and Biochemistry Faculty Research

Structural and electronic properties of co-sputtered Ni-Mg thin films with varying Ni to Mg ratio were studied by in-situ x-ray absorption spectroscopy in the Ni L-edge and Mg K-edge regions. Co-deposition of the metals led to increased disorder and decreased coordination around Ni and Mg compared to pure metal films. Exposure of the metallic films to hydrogen resulted in formation of hydrides and increased disorder. The presence of hydrogen as a near neighbor around Mg caused a drastic reduction in the intensities of multiple scattering resonances at higher energies. The optical switching behavior and changes in the x-ray spectra varied …

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Correlated Alternative Side Chain Conformations In The Rna-Recognition Motif Of Heterogeneous Nuclear Ribonucleoprotein A1, Jacqueline Vitali, Jianzhong Ding, Jianzhong Jiang, Ying Zhang, Adrian R. Krainer, Rui-Ming Xu Apr 2002

Correlated Alternative Side Chain Conformations In The Rna-Recognition Motif Of Heterogeneous Nuclear Ribonucleoprotein A1, Jacqueline Vitali, Jianzhong Ding, Jianzhong Jiang, Ying Zhang, Adrian R. Krainer, Rui-Ming Xu

Physics Faculty Publications

The RNA-recognition motif (RRM) is a common and evolutionarily conserved RNA-binding module. Crystallographic and solution structural studies have shown that RRMs adopt a compact α/β structure, in which four antiparallel β-strands form the major RNA—binding surface. Conserved aromatic residues in the RRM are located on the surface of the β-sheet and are important for RNA binding. To further our understanding of the structural basis of RRM—nucleic acid interaction, we carried out a high resolution analysis of UP1, the N-terminal, two-RRM domain of heterogeneous nuclear ribonucleoprotein A1 (hnRNP A1), whose structure was previously solved at 1.75–1.9 Å …

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Effects Of Nonequilibrium Atmospheric Pressure Plasmas On The Heterotrophic Pathways Of Bacteria And On Their Cell Morphology, Mounir Laroussi, J. Paul Richardson, Fred C. Dobbs Jan 2002

Effects Of Nonequilibrium Atmospheric Pressure Plasmas On The Heterotrophic Pathways Of Bacteria And On Their Cell Morphology, Mounir Laroussi, J. Paul Richardson, Fred C. Dobbs

OES Faculty Publications

To date, most research on the interaction of nonequilibrium, atmospheric pressure plasma discharges with bacteria has concentrated on the germicidal effects. Therefore, published results deal mainly with killing efficacy and little attention is given to physical mechanisms and biochemical pathways and their potential alterations when cells of microorganisms are exposed to the plasma. In this letter, an attempt to investigate the effects of plasma exposure on the biochemical pathways of bacteria is presented. In addition, using electron microscopy, we investigate if any gross morphological changes take place when cells are exposed to a lethal dose of plasma. We are testing …

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Scroll Waves In The Presence Of Slowly Varying Anisotropy With Application To The Heart, S. Setayeshgar, Andrew J. Bernoff Dec 2001

Scroll Waves In The Presence Of Slowly Varying Anisotropy With Application To The Heart, S. Setayeshgar, Andrew J. Bernoff

All HMC Faculty Publications and Research

We consider the dynamics of scroll waves in the presence of rotating anisotropy, a model of the left ventricle of the heart in which the orientation of fibers in successive layers of tissue rotates. By choosing a coordinate system aligned with the fiber rotation and studying the phase dynamics of a straight but twisted scroll wave, we derive a Burgers’ equation with forcing associated with the fiber rotation rate. We present asymptotic solutions for scroll twist, verified by numerics, using a realistic fiber distribution profile. We make connection with earlier numerical and analytical work on scroll dynamics.

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Shape Imprinting Due To Variable Disulfide Bonds In Polyacrylamide Gels, Andrew B. Greytak, Alexander Y. Grosberg, Toyoichi Tanaka Jun 2001

Shape Imprinting Due To Variable Disulfide Bonds In Polyacrylamide Gels, Andrew B. Greytak, Alexander Y. Grosberg, Toyoichi Tanaka

Faculty Publications

Through the use of variable disulfide crosslinkers, we have created polyacrylamide gels whose shape can be altered after polymerization. N,N'-bisacryloylcystamine is incorporated as a crosslinker, along with a smaller amount of a permanent crosslinker. After polymerization, the disulfide bonds are cleaved into thiols through reduction. By reoxidizing the thiols with the gel held in a new macroscopic shape, a new set of disulfide bonds is formed, and the gel is forced to adopt the new shape. Retension of the new shape improves with greater distortion from the original shape, as well as with increased concentration of variable …

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Semiclassical Application Of The Mo/Ller Operators In Reactive Scattering, Sophya V. Garashchuk, J. C. Light Jan 2001

Semiclassical Application Of The Mo/Ller Operators In Reactive Scattering, Sophya V. Garashchuk, J. C. Light

Faculty Publications

Mo/ller operators in the formulation of reaction probabilities in terms of wave packet correlation functions allow us to define the wave packets in the interaction region rather than in the asymptotic region of the potential surface. We combine Mo/ller operators with the semiclassical propagator of Herman and Kluk. This does not involve further approximations and can be used with any initial value representation (IVR) semiclassical propagator. Time propagation in asymptotic regions of the potential due to Mo/ller operators reduces the oscillations of the propagator integrand and improves convergence of the results with respect to the number of trajectories. The effectiveness …

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Interaction Second Virial Coefficients From A Recent H2-Co Potential Energy Surface, J. Gottfried, George C. Mcbane Dec 1999

Interaction Second Virial Coefficients From A Recent H2-Co Potential Energy Surface, J. Gottfried, George C. Mcbane

Peer Reviewed Articles

No abstract provided.

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State-To-State Rotational Excitation Of Co By H2 Near 1000 Cm-1 Collision Energy, Stiliana Antonova, Antonis P. Tsakotellis, Ao Lin, George C. Mcbane Oct 1999

State-To-State Rotational Excitation Of Co By H2 Near 1000 Cm-1 Collision Energy, Stiliana Antonova, Antonis P. Tsakotellis, Ao Lin, George C. Mcbane

Peer Reviewed Articles

Relative state-to-state rotationally inelastic cross sections for excitation of carbon monoxide by hydrogen were measured in a crossed molecular beam experiment at collision energies 795, 860, and 991 cm-1. The results are compared to predictions of a recent ab initio potential energy surface [J. Chem. Phys. 108, 3554 (1998)]. The agreement is very good. A comparison with older data on thermally averaged total depopulation cross sections [Chem. Phys. 53, 165 (1980)] indicates that the absolute magnitudes of the cross sections predicted by the surface are too high. The CO excitation is dominated by collisions that are …

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Collisional Dynamics Of Bi2 A(0U+). I. Quantum-Resolved Vibrational Energy Transfer For V′=0–4, Robert E. Franklin, Glen P. Perram Oct 1999

Collisional Dynamics Of Bi2 A(0U+). I. Quantum-Resolved Vibrational Energy Transfer For V′=0–4, Robert E. Franklin, Glen P. Perram

Faculty Publications

Vibrational-to-translational energy transfer between the lowest vibrational levels (v′=0–4) of the A(0+u) state of Bi2 has been investigated using spectrally resolved, laser-induced fluorescence techniques. The small vibrational spacing (ω′e≃132 cm−1) leads to highly nonadiabatic conditions, particularly for the Bi2(A)–He collision pair. However, the Δv=−1 transition probabilities for collisions with the rare gases range from 0.75% to 1.75% per collision, considerably lower than would be anticipated from standard vibrational energy transfer theory. Multiquantum (Δv′=±2) transfer rates are low, consistent with the low anharmonicity of the A(0+u) state. The rates for …

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State To State Ne-Co Rotationally Inelastic Scattering, Stiliana Antonova, Ao Lin, Antonis P. Tsakotellis, George C. Mcbane Mar 1999

State To State Ne-Co Rotationally Inelastic Scattering, Stiliana Antonova, Ao Lin, Antonis P. Tsakotellis, George C. Mcbane

Peer Reviewed Articles

Measurements of state-to-state integral cross sections for rotational excitation of CO by collisions with Ne are reported. The measurements were performed in crossed molecular beams with resonance enhanced multiphoton detection at collision energies of 711 and 797 cm-1. The cross sections display strong interference structure, with a propensity for odd Δj below Δj=10. Predictions of the ab initio potential surface of Moszynski et al. [J. Phys. Chem. A 101, 4690 (1997)] and the new ab initio surface of McBane and Cybulski [J. Chem. Phys. 110, 11734 (1999), preceding paper] are compared to the …

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An Ab Initio Potential Energy Surface For The Ne-Co, George C. Mcbane, Slawomir M. Cybulski Mar 1999

An Ab Initio Potential Energy Surface For The Ne-Co, George C. Mcbane, Slawomir M. Cybulski

Peer Reviewed Articles

A new ab initio two-dimensional potential energy surface for the Ne-CO interaction is described. The surface was obtained by the supermolecule method at the CCSD(T) level of theory. It is compared with several experimental data sets and with the symmetry-adapted perturbation theory (SAPT) surface of Moszynski et al. [J. Phys. Chem. A 101, 4690 (1997)]. The new surface gives modestly better predictions of experimental results that depend on close approach of Ne to CO, but does not describe the ground state geometry as well as the SAPT surface.

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Reply To Comment On ‘Nondipole Resonant X-Ray-Raman Spectroscopy: Polarized Inelastic Scattering At The K Edge Of Cl2,’, J. D. Mills, J. A. Sheehy, T. A. Ferrett, S. H. Southworth, R. Mayer, Dennis W. Lindle, P. W. Langhoff Jan 1999

Reply To Comment On ‘Nondipole Resonant X-Ray-Raman Spectroscopy: Polarized Inelastic Scattering At The K Edge Of Cl2,’, J. D. Mills, J. A. Sheehy, T. A. Ferrett, S. H. Southworth, R. Mayer, Dennis W. Lindle, P. W. Langhoff

Chemistry and Biochemistry Faculty Research

Mills et al. Reply: In their Comment on our Letter [1], Gel’mukhanov and Ågren [2] reiterate recent assertions [3] based on their earlier theoretical studies [4]. The primary purpose of their Comment is apparently to refute our stated conclusion that core-excited-state localization/ delocalization mechanisms are irrelevant to interpretations of reported Raman scattering experiments on homonuclear diatomic molecules.

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An Ab Initio Study Of The Mono- And Difluorides Of Krypton, Gerald J. Hoffman, Laura A. Swafford '97, Robert J. Cave Dec 1998

An Ab Initio Study Of The Mono- And Difluorides Of Krypton, Gerald J. Hoffman, Laura A. Swafford '97, Robert J. Cave

All HMC Faculty Publications and Research

Results from ab initio calculations at the CCSD(T) level of theory are presented for krypton monofluoride (KrF), krypton monofluoride cation (KrF+), linear, ground-state krypton difluoride (KrF2), the triplet state of krypton difluoride, and the krypton–fluorine van der Waals complex (Kr–F2). These are the first calculations demonstrating that KrF is a bound molecule, in agreement with experimental observation. When corrected for basis-set superposition error, the calculated potential displays quantitative agreement with the attractive wall of the experimentally measured potential curve. Results are also presented for KrF+ and linear KrF2 which yield accurate values for their dissociation energies. The triplet state of …

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An Ab Initio Study Of Specific Solvent Effects On The Electronic Coupling Element In Electron Transfer Reactions, Thomas M. Henderson '98, Robert J. Cave Nov 1998

An Ab Initio Study Of Specific Solvent Effects On The Electronic Coupling Element In Electron Transfer Reactions, Thomas M. Henderson '98, Robert J. Cave

All HMC Faculty Publications and Research

Specific solvent effects on the electronic coupling element for electron transfer are examined using two model donor–acceptor systems (Zn2+ and Li2+) and several model “solvent” species (He, Ne, H2O, and NH3). The effects are evaluated relative to the given donor–acceptor pair without solvent present. The electronic coupling element (Hab) is found to depend strongly on the identity of the intervening solvent, with He atoms decreasing Hab, whereas H2O and NH3 significantly increase Hab. The distance dependence (essentially exponential decay) is weakly affected by a single intervening solvent atom–molecule. However, when the donor–acceptor distance increases in concert with addition of successively …

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State To State He-Co Rotationally Inelastic Scattering, Stiliana Antonova, Ao Lin, Antonis P. Tsakotellis, George C. Mcbane Oct 1998

State To State He-Co Rotationally Inelastic Scattering, Stiliana Antonova, Ao Lin, Antonis P. Tsakotellis, George C. Mcbane

Peer Reviewed Articles

Relative integral cross sections for rotational excitation of CO in collisions with He were measured at energies of 72 and 89 meV. The cross sections are sensitive to anisotrophy in the repulsive wall of the He-CO interaction. The experiments were done in crossed molecular beams with resonance enhanced multiphoton ionization detection. The observed cross sections display interference structure at low Δj, despite the average over the initial CO rotational distribution. At higher Δj, the cross sections decrease smoothly. The results are compared with cross sections calculated from two high quality potential energy surfaces for the He-CO …

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Auger Resonance Decay Process In Ar 2p Shell Excitation And Ionization, Y. Lu, Wayne C. Stolte, J.A. R. Samson Oct 1998

Auger Resonance Decay Process In Ar 2p Shell Excitation And Ionization, Y. Lu, Wayne C. Stolte, J.A. R. Samson

Chemistry and Biochemistry Faculty Research

The production and subsequent autoionization of the Ar+ (1D2)6d1 satellite state that is formed either by shake-up or recapture during the Auger decay of a 2p vacancy in Ar has been studied by photoelectron spectroscopy in the energy region from 243 to 256 eV. The creation of near zero energy electrons below and immediately above the Ar 2p ionization threshold is discussed. Some ambiguous points in previous studies are clarified.

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Chemical Signals From Submarine Fluid Advection Onto The Continental Shelf, W. S. Moore, Timothy J. Shaw Sep 1998

Chemical Signals From Submarine Fluid Advection Onto The Continental Shelf, W. S. Moore, Timothy J. Shaw

Faculty Publications

No abstract provided.

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Neutral Dissociation Of Hydrogen Following Photoexcitation Of Hcl At The Chlorine K Edge, D. L. Hansen, J. Cotter, G. R. Fisher, K. T. Leung, R. Martin, Paul Neill, Rupert C. Perera, I. A. Sellin, Marc Simon, Y. Uehara, B. Vanderford, S. B. Whitfield Apr 1998

Neutral Dissociation Of Hydrogen Following Photoexcitation Of Hcl At The Chlorine K Edge, D. L. Hansen, J. Cotter, G. R. Fisher, K. T. Leung, R. Martin, Paul Neill, Rupert C. Perera, I. A. Sellin, Marc Simon, Y. Uehara, B. Vanderford, S. B. Whitfield

Chemistry and Biochemistry Faculty Research

Time-of-flight mass spectroscopy was used to study the relaxation dynamics of HCl following photoexcitation in the vicinity of the Cl K edge (~2.8 keV) using monochromatic synchrotron radiation. At the lowest resonant excitation to the 6ơ* antibonding orbital, almost half of the excited molecules decay by emission of a neutral H atom, mostly in coincidence with a highly charged Cln1 ion. The present work demonstrates that neutral-atom emission can be a significant decay channel for excited states with very short lifetimes (1 fs). [S1050-2947(98)03604-X]

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Synthesis, Molecular Structure, And Reactivity Of Dinuclear Copper(Ii) Complexes With Carboxylate-Rich Coordination Environments, Richard C. Holz, John M. Bradshaw, Brian Bennett Mar 1998

Synthesis, Molecular Structure, And Reactivity Of Dinuclear Copper(Ii) Complexes With Carboxylate-Rich Coordination Environments, Richard C. Holz, John M. Bradshaw, Brian Bennett

Physics Faculty Research and Publications

The dinucleating ligand N,N‘-(2-hydroxy-5-methyl-1,3-xylylene)bis(N-(carboxymethyl)glycine) (CH3HXTA) has been used to synthesize the dinuclear Cu(II) bis(pyridine) complex Na[Cu2(CH3HXTA)(Py)2]·1.5(1,4-dioxane) (Na(1)):  triclinic space group P1̄ (a = 12.550(3) Å, b = 13.413(3) Å, c = 13.540(4) Å, α = 117.12(2)°, β = 104.70 (2)°, and γ = 92.13(2)°). The structure shows two distinct distorted square pyramidal Cu(II) centers with each Cu(II) ion bound by two carboxylate oxygen atoms, one amine nitrogen atom, a phenolate oxygen atom, and one pyridine nitrogen atom. The Cu--Cu separation is 3.531 Å, …

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Double Photoionization Of Helium, James A.R. Samson, Wayne C. Stolte, Z. X. He, Y. Lu, J. N. Cutler, R. J. Bartlett Mar 1998

Double Photoionization Of Helium, James A.R. Samson, Wayne C. Stolte, Z. X. He, Y. Lu, J. N. Cutler, R. J. Bartlett

Chemistry and Biochemistry Faculty Research

The cross sections for double photoionization of helium and the ratios of double to single ionization have been measured from the double-ionization threshold to 820 eV. The results are in very good agreement with several recent calculations.

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