Collisional energy transfer in highly excited molecules: Deuteration effects

Clarke, D.L. and Gilbert, R.G. (1992) Collisional energy transfer in highly excited molecules: Deuteration effects. Journal of Physical Chemistry, 96 21: 8450-8453. doi:10.1021/j100200a046

Author Clarke, D.L.
Gilbert, R.G.
Title Collisional energy transfer in highly excited molecules: Deuteration effects
Journal name Journal of Physical Chemistry   Check publisher's open access policy
ISSN 0022-3654
Publication date 1992-10
Sub-type Article (original research)
DOI 10.1021/j100200a046
Volume 96
Issue 21
Start page 8450
End page 8453
Total pages 4
Place of publication Washington, DC, United States
Publisher American Chemical Society
Language eng
Formatted abstract
Average energy-transfer values are reported from trajectory studies of Xe and He colliding with highly excited azulene-d0 and azulene-d8. The calculated isotope effect is small, in agreement with experiments on related systems. This suggests that the low-frequency modes are important in determining the amount of energy transfer. Furthermore, the fact that both calculated and observed changes with deuteration are small for helium suggests that the classical description of the energy transfer is adequate. The biased random walk model for collisional energy transferred is found to reproduce the observation of a small isotope effect. The calculated fraction and magnitude of supercollisions are in accord with extant data and are predicted to be relatively unaffected by deuteration.
Keyword Rotationally inelastic-scattering
Random-walk model
Potential calculations
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemistry and Molecular Biosciences
Centre for Nutrition and Food Sciences Publications
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Created: Mon, 07 Mar 2011, 15:39:08 EST