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 Hydrogen bonding (2)
 High resoultion spectroscopy (2)
 Bond formation (2)
 Rotation constants (2)
 Fourier transform infrared spectroscopy (2)

 Dissociation energies (2)
 Molecular dynamics (2)
 Vibrational rotation analysis (1)
 Data analysis (1)
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 Polymers (1)
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 Noble gases (1)
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Articles 1  7 of 7
FullText Articles in Physics
Fine‐Structure Mixing Within The Zn(43pj) Multiplet By Collisions With The Noble Gases, Xianming Han, J. F. Kelly
Fine‐Structure Mixing Within The Zn(43pj) Multiplet By Collisions With The Noble Gases, Xianming Han, J. F. Kelly
Scholarship and Professional Work  LAS
Measurements of rate coefficients for intramultiplet state transfer of Zn(4 ^{3} P _{1}→4 ^{3} P _{ J’}) by collisions with the rare gases are presented. The state‐to‐state binary rate coefficients are derived from least‐squares fittings of the time‐resolved triexponential behavior of the 4 ^{3} P _{1}fluorescence. These rate coefficients were studied systematically over a temperature range of 690–1100 K in order to characterize the velocity dependence of the collisional coupling. The systematic behavior of the rate coefficients with varying temperature and noble gas species is qualitatively consistent with a nearly adiabatic coupling limit ...
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
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 2ν^{0} _{6} [ν_{0}=1132.4783(2) cm^{−} ^{1}] in HCN‐‐‐HF and its corresponding perdeuterated fundamental ν^{1} _{6} [ν_{0}=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 ...
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
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
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 ...
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
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 2ν_{1} 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 ω_{1}. 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 ...
Preliminary Rovibrational Analysis Of The Nν6+Ν1−Nν6 Vibration In Hcn⋅⋅⋅Hf, E. Kyrö, K. Mcmillan, M. Eliades, D. Danzeiser, P. ShojaChaghervand, Shannon Lieb, J. W. Bevan
Preliminary Rovibrational Analysis Of The Nν6+Ν1−Nν6 Vibration In Hcn⋅⋅⋅Hf, E. Kyrö, K. Mcmillan, M. Eliades, D. Danzeiser, P. ShojaChaghervand, 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 nν_{6}+ν_{1}−nν_{6} hydrogen‐bonded vibration in HCN⋅⋅⋅HF has been completed. The following excited staterotational constantsB′ and band origin frequencies ν_{0} have been determined for the complex. The results are consistent with a rotation‐vibration interaction constant α_{1}=−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 ...
TravellingWave SubDoppler Excited Molecule Energy Transfer Spectroscopy, Khalid Iqbal, Shannon G. Lieb, J. W. Bevan
TravellingWave SubDoppler 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.