Angular momentum conservation in multichannel unimolecular reactions

Smith, S.C. and Gilbert, R.G. (1988) Angular momentum conservation in multichannel unimolecular reactions. International Journal of Chemical Kinetics, 20 12: 979-990. doi:10.1002/kin.550201206


Author Smith, S.C.
Gilbert, R.G.
Title Angular momentum conservation in multichannel unimolecular reactions
Journal name International Journal of Chemical Kinetics   Check publisher's open access policy
ISSN 0538-8066
1097-4601
Publication date 1988-12
Sub-type Article (original research)
DOI 10.1002/kin.550201206
Volume 20
Issue 12
Start page 979
End page 990
Total pages 12
Place of publication Hoboken, NJ, United States
Publisher John Wiley & Sons
Language eng
Abstract A recently developed solution of the master equation for unimolecular and recombination reactions is extended to give new means for incorporating angular momentum (J) conservation in the fall-off regime for multichannel reactions. The calculated pressure dependence of a typical multichannel unimolecular dissociation reaction (thermal dissociation of 1-iodopropane) shows that if one of the channels has a transition state with a moment of inertia (I†) significantly different from that of the parent molecule (I) (e.g., a “simple-fission” type), neglect of angular momentum conservation causes the predicted branching ratio to be grossly in error at lower pressures. Specifically, if I† > I the rate coefficient is underestimated whereas if I† < I the rate coefficient is overestimated.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown
Additional Notes Article first published online: 30 September 2004.

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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