Biological and Chemical Physics Commons^™

Surface Structure Of √3x√3r 30 Cl/Ni(111) Determined Using Low-Temperature Angle-Resolved-Photoemission Extended Fine Structure, Li-Qiong Wang, Z. Hussain, Z. Q. Huang, A. E. Schach Von Wittenau, Dennis W. Lindle, D. A. Shirley

Chemistry and Biochemistry Faculty Research

A surface structural study of the √3 × √3 R30° Cl/Ni(111) adsorbate system was made using low-temperature angle-resolved photoemission extended fine structure. The experiments were performed along two emission directions, [111] and [110], and at two temperatures, 120 and 300 K. The multiple-scattering spherical-wave analysis determined that the Cl atom adsorbs in the fcc threefold hollow site, 1.837(8) Å above the first nickel layer, with a Cl-Ni bond length of 2.332(6) Å, and an approximate 5% contraction between the first and the second nickel layers (the errors in parentheses are statistical standard deviations only).

Measurement Of The Ratio Of Double-To-Single Photoionization Of Helium At 2.8 Kev Using Synchrotron Radiation, Jon C. Levin, Dennis W. Lindle, N. Keller, R. D. Miller, Y. Azuma, N. Berrah Mansour, H. G. Berry, Ivan A. Sellin

Chemistry and Biochemistry Faculty Research

We report the first measurement of the ratio of double-to-single photoionization of helium well above the double-ionization threshold. Using a time-of-flight technique, we find He⁺⁺/He⁺=1.6±0.3% at hν=2.8 keV. This value lies between calculations by Amusia (2.3%) and by Samson, who predicts 1.2% by analogy with electron-impact ionization cross sections of singly charged ions. Good agreement is obtained with older shake calculations of Byron and Joachain, and of Åberg, who predict 1.7%.

Anisotropy Of Polarized X-Ray Emission From Molecules, S. H. Southworth, Dennis W. Lindle, R. Mayer, P. L. Cowan

Chemistry and Biochemistry Faculty Research

Strongly anisotropic, polarized Cl K-V x-ray emission from gas-phase CF₃Cl has been observed following resonant excitation with a linearly polarized x-ray beam. Distinctively different angular distributions are observed for x-ray emission involving molecular orbitals of different symmetries. A classical model of the x-ray absorption-emission process accurately describes the observed radiation patterns.

Molecular-Orbital Studies Via Satellite-Free X-Ray Fluorescence: Cl-K Absorption And K–Valence-Level Emission Spectra Of Chlorofluoromethanes, Rupert C. Perera, P. L. Cowan, Dennis W. Lindle, R. E. Lavilla, T. Jach, R. D. Deslattes

Chemistry and Biochemistry Faculty Research

X-ray absorption and emission measurements in the vicinity of the chlorine K edge of the three chlorofluoromethanes have been made using monochromatic synchrotron radiation as the source of excitation. By selectively tuning the incident radiation to just above the Cl 1s single-electron ionization threshold for each molecule, less complex x-ray-emission spectra are obtained. This reduction in complexity is attributed to the elimination of multielectron transitions in the Cl K shell, which commonly produce satellite features in x-ray emission. The resulting "satellite-free" x-ray-emission spectra exhibit peaks due only to electrons in valence molecular orbitals filling a single Cl 1s vacancy. These …

Polarized X-Ray-Emission Studies Of Methyl Chloride And The Chlorofluoromethanes, Dennis W. Lindle, P. L. Cowan, T. Jach, R. E. Lavilla, R. D. Deslattes, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

A new technique sensitive to molecular orientation and geometry, and based on measuring the polarization of x-ray emission, has been applied to the Cl-containing molecules methyl chloride (CH₃Cl) and the chlorofluoromethanes (CF₃Cl, CF₂Cl₂, and CFCl₃) in the gas phase. Upon selective excitation using monochromatic synchrotron radiation in the Cl K-edge (Cl 1s) near-threshold region, polarization-selective x-ray emission studies reveal highly polarized molecular valence x-ray fluorescence for all four molecules. The degree and the orientation of the polarized emission are observed to be sensitive to the incident excitation energy near …

Direct Determination Of Molecular-Orbital Symmetry Of H2s Using Polarized X-Ray Emission, R. Mayer, Dennis W. Lindle, S. H. Southworth, P. L. Cowan

Chemistry and Biochemistry Faculty Research

X-ray emission from the molecule H₂S is strongly polarized following excitation of a sulfur K-shell electron to an unoccupied subthreshold molecular orbital with a polarized x-ray beam. Changes in the polarization of the emission spectrum are observed as the incident beam's energy is swept across the subthreshold absorption resonance. The previously unresolved absorption resonance is shown experimentally to be primarily associated with a molecular orbital of b₂ symmetry, but with a high-excitation-energy component due to an orbital with a₁ symmetry. Satellite emission intensity is shown to depend on the primary photon energy and is therefore associated …

Argon-Photoion–Auger-Electron Coincidence Measurements Following K-Shell Excitation By Synchrotron Radiation, Jon C. Levin, C. Biedermann, N. Keller, L. Liljeby, C.-S. O, R. T. Short, Ivan A. Sellin, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

Argon photoion spectra have been obtained for the first time in coincidence with K-LL and K-LM Auger electrons, as a function of photon energy. The simplified charge distributions which result exhibit a much more pronounced photon-energy dependence than do the more complicated noncoincident spectra. In the near-K-threshold region, Rydberg shakeoff of np levels, populated by resonant excitation of K electrons, occurs with significant probability, as do double-Auger processes and recapture of the K photoelectron through postcollision interaction.

The Spectroscopy And Molecular Dynamics Of The High Frequency Ν1 6 Intermolecular Vibrations In Hcn‐‐‐Hf And Dcn‐‐‐Df, B. A. Wofford, M. W. Jackson, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Gas phase rovibrational analysis of the high frequency intermolecular hydrogen bonded bending overtone 2ν⁰ ₆ [ν₀=1132.4783(2) cm^{− 1}] in HCN‐‐‐HF and its corresponding perdeuterated fundamental ν¹ ₆ [ν₀=409.1660(2) cm^{− 1}] are reported. Evaluated rovibrational parameters provide the basis for quantitative modeling of the molecular dynamics associated with this vibration. A quantum mechanical calculation permits determination of the quadratic and quartic force constants K _{6 6}=537(17) and K _{6 6 6 6}=4.98(12) cm^{− 1} which in turn are used to estimate the pertinent cubic band stretching interaction constants …

Erratum: Determination Of Dissociation Energies And Thermal Functions Of Hydrogen Bond Formation Using High Resolution Ftir Spectroscopy [J. Chem. Phys. 8 7, 5674 (1987)], B. A. Wofford, M. E. Eliades, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Erratum

Determination Of Dissociation Energies And Thermal Functions Of Hydrogen‐Bond Formation Using High Resolution Ftir Spectroscopy, B. A. Wofford, M. E. Eliades, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

A technique which employs high resolution Fourier transform infrared spectroscopy is demonstrated for evaluation of hydrogen bonddissociation energiesD ₀ and D _e . Results for HCN‐‐HF give a D ₀=20.77(22) and D _e =28.77(45) kJ/mol which are compared with previously determined values obtained from microwave absolute intensity measurements and a b i n i t i o molecular orbital calculations. Rovibrational band information available for HCN‐‐HF also permits evaluation of thermal functions of dimer formation in kJ/mol: ΔU ^○ _298.2 =20.1(2), ΔH ^○ _298.2 =22.6(2), ΔG ^○ _298.2 =59.4(2), ΔS ^○ _298.2 =−0.1235.

Molecular Dynamics In Hydrogen‐Bonded Interactions: A Preliminary Experimentally Determined Harmonic Stretching Force Field For Hcn‐‐‐Hf, B. A. Wofford, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Observation of the 2ν₁ overtone band in the hydrogen‐bonded complex HCN‐‐‐HF permits evaluation of the anharmonicity constant X _{1 1}=−116.9(1) cm^{− 1} and determination of the anharmonicity corrected fundamental frequency ω₁. This information, and available data from previous rovibrational analyses in the common and perdeuterated isotopic species of HCN‐‐‐HF, offer an opportunity for calculation of an approximate stretching harmonic force field. With the assumptions f _{1 2}=f _{2 4}=0.0, the remaining force constants (in mdyn/Å) are evaluated as: f _{1 1}=8.600(20), f _{2 2}=6.228(9), f _{3 3}=19.115(40), f _{4 …}

Preliminary Rovibrational Analysis Of The Nν6+Ν1−Nν6 Vibration In Hcn⋅⋅⋅Hf, E. Kyrö, K. Mcmillan, M. Eliades, D. Danzeiser, P. Shoja-Chaghervand, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

A preliminary rotation‐vibration analysis of the n=0 and n=1 subbands associated with the nν₆+ν₁−nν₆ hydrogen‐bonded vibration in HCN⋅⋅⋅HF has been completed. The following excited staterotational constantsB′ and band origin frequencies ν₀ have been determined for the complex. The results are consistent with a rotation‐vibration interaction constant α₁=−68.3±1 MHz which correlates with an excited stater(N⋅⋅⋅F) internuclear distance of 2.762 Å, a decrease of 0.034 Å relative to the ground state.Excited state lifetimes associated with assigned transitions are demonstrated to be …

Travelling-Wave Sub-Doppler Excited Molecule Energy Transfer Spectroscopy, Khalid Iqbal, Shannon G. Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

A general formulation of traveling‐wave sub‐Doppler excited molecule energy transferspectroscopy is presented. The line profile analysis is applied to that determined experimentally for the R(22) ν3 HCN transition. Pn the noise equivalent power of the detector is demonstrated to be ⩽10−12 W. Finally, the technique is applied to resolve the KsR(7) ν1 transition head in NH3.

Investigation Of The Alpha-Sub-Gamma Phase In Alnico 6, Cortez Samuel

Dissertations and Theses

The purpose of this research project was to study the αᵧ phase in Alnico 6. Other phases were studies for comparison. Also the effect of an applied magnetic field on the formation of the αᵧ phase was investigated.

Three single crystals of Alnico 6 were heat treated for one hour--one at 1250°C, one at 1000°C, and one at 800°C--and water-quenched. The microstructure of each sample was observed with the optical microscope, and X-ray diffraction patterns were taken to determine the crystal structure of the phases present.

Several single crystal samples of Alnico 6 were heat treated at 1000°C and furnace-cooled. …

Properties And Structure Of Some Chalcogenide Glasses, Amin Ismail Amin Abdel-Latif

Archived Theses and Dissertations

No abstract provided.

Catalytic Decomposition Of Hydrogen Peroxide By Manganese-Doped Magnesium Hydroxide, Nabih Philobbos Kelada

Archived Theses and Dissertations

No abstract provided.

The Electrical Resistivity Of Different Types Of Glasses, Fadel Youssef Iskandar Assabghy

Archived Theses and Dissertations

No abstract provided.