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Collisional energy transfer in polyatomic molecules in the gas phase
Author(s) -
Bernshtein Victor,
Oref Izhack
Publication year - 2008
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1560/ijc.47.2.205
Subject(s) - polyatomic ion , monatomic ion , chemistry , excited state , collision , atomic physics , work (physics) , rotational energy , energy transfer , molecule , monatomic gas , potential energy , chemical physics , thermodynamics , physics , computer security , organic chemistry , computer science
This paper is an attempt to present an overall view of energy transfer between excited polyatomic molecules and polyatomic and monatomic bath, based on results obtained by classical trajectory calculations. It is not a general review of the subject but a summary based on work done by us in the last few years. We report average energies transferred in a collision and collisional energy transfer probability density functions for various collision partners as a function of various system parameters: temperature, vibrational and rotational energies of the hot and cold molecule, and relative translational energies. Various mechanisms for energy transfer are proposed, their dependence on the system parameters is explored, and the relevance of empirical numerical models to computational results is discussed.