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The role of vibrational–rotational coupling in V–V and V–R,T energy transfer

Coltrin, M. E. and Marcus, R. A. (1980) The role of vibrational–rotational coupling in V–V and V–R,T energy transfer. Journal of Chemical Physics, 73 (5). pp. 2179-2181. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:COLjcp80a

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Abstract

The effect of neglecting vibrational–rotational coupling in energy transfer calculations is studied for collisions of HF (v=1–7) with HF (v=0). An analog of a "classical path" method is considered in which rigid-rotor trajectories are used to determine a time-dependent forcing term on the vibrational motion of each molecule. The results are compared with our quasiclassical calculations in which no such approximation was used. At higher vibrational states the rigid-rotor forced-oscillator model is found to predict substantially smaller V–R,T rate constants than those found in the exact study.


Item Type:Article
Additional Information:Copyright © 1980 American Institute of Physics. (Received 7 May 1980 accepted 22 May 1980) It is a pleasure to acknowledge support of this research by the U.S. Department of Energy and the National Science Foundation. We also thank M.E. Riley for helpful discussions of this and related work. Contribution No. 6206 from the California Institute of Technology.
Subject Keywords:ENERGY TRANSFER, VIBRATIONAL STATES, ROTATIONAL STATES, COUPLING, HYDROFLUORIC ACID, MOLECULE–MOLECULE COLLISIONS
Record Number:CaltechAUTHORS:COLjcp80a
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:COLjcp80a
Alternative URL:http://dx.doi.org/10.1063/1.440412
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:10714
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:04 Jun 2008
Last Modified:26 Dec 2012 10:04

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