Energy transfer of highly vibrationally excited naphthalene. II. Vibrational energy dependence and isotope and mass effects

2008 ◽  
Vol 128 (12) ◽  
pp. 124320 ◽  
Author(s):  
Chen-Lin Liu ◽  
Hsu Chen Hsu ◽  
Yuan Chin Hsu ◽  
Chi-Kung Ni
Keyword(s):  
Energy Transfer ◽  
Energy Dependence ◽  
Vibrational Energy ◽  
Vibrationally Excited ◽  
Mass Effects

scholarly journals The calculation of TV, VT, VV, VV' − rate coefficients for the collisions of the main atmospheric components

1998 ◽  
Vol 16 (7) ◽  
pp. 838-846 ◽  
Author(s):  
A. S. Kirillov
Keyword(s):  
Experimental Data ◽  
Energy Transfer ◽  
Vibrational Energy ◽  
Relaxation Times ◽  
Atmospheric Composition ◽  
Rate Coefficients ◽  
Frequency Change ◽  
Vibrational Energy Transfer ◽  
Ion Chemistry ◽  
Vibrationally Excited

Abstract. The first-order perturbation approximation is applied to calculate the rate coefficients of vibrational energy transfer in collisions involving vibrationally excited molecules in the absence of non-adiabatic transitions. The factors of molecular attraction, oscillator frequency change, anharmonicity, 3-dimensionality and quasiclassical motion have been taken into account in the approximation. The analytical expressions presented have been normalized on experimental data of VT-relaxation times in N2 and O2 to obtain the steric factors and the extent of repulsive exchange potentials in collisions N2-N2 and O2-O2. The approach was applied to calculate the rate coefficients of vibrational-vibrational energy transfer in the collisions N2-N2, O2-O2 and N2-O2. It is shown that there is good agreement between our calculations and experimental data for all cases of energy transfer considered.Key words. Ionosphere (Auroral ionosphere; ion chemistry and composition). Atmospheric composition and structure (Aciglow and aurora).

scholarly journals Kinetics and dynamics of near-resonant vibrational energy transfer in gas ensembles of atmospheric interest

2018 ◽  
Vol 376 (2115) ◽  
pp. 20170150 ◽  
Author(s):  
Anthony J. McCaffery
Keyword(s):  
Energy Transfer ◽  
Gas Phase ◽  
Quantum State ◽  
Vibrational Energy ◽  
Chem Phys ◽  
Theoretical Chemistry ◽  
Computational Method ◽  
Vibrationally Excited ◽  
Kinetics And Dynamics ◽  
Kinetics Of

This study of near-resonant, vibration–vibration (V–V) gas-phase energy transfer in diatomic molecules uses the theoretical/computational method, of Marsh & McCaffery (Marsh & McCaffery 2002 J. Chem. Phys. 117 , 503 ( doi:10.1063/1.1489998 )) The method uses the angular momentum (AM) theoretical formalism to compute quantum-state populations within the component molecules of large, non-equilibrium, gas mixtures as the component species proceed to equilibration. Computed quantum-state populations are displayed in a number of formats that reveal the detailed mechanism of the near-resonant V–V process. Further, the evolution of quantum-state populations, for each species present, may be followed as the number of collision cycles increases, displaying the kinetics of evolution for each quantum state of the ensemble's molecules. These features are illustrated for ensembles containing vibrationally excited N 2 in H 2 , O 2 and N 2 initially in their ground states. This article is part of the theme issue ‘Modern theoretical chemistry’.

Mass effects and channel coupling sensitivity in vibrational energy transfer

1989 ◽  
Vol 90 (3) ◽  
pp. 1711-1719 ◽  
Author(s):  
Thomas G. Kreutz ◽  
Larry Eno ◽  
Herschel Rabitz
Keyword(s):  
Energy Transfer ◽  
Vibrational Energy ◽  
Vibrational Energy Transfer ◽  
Channel Coupling ◽  
Mass Effects
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