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Simple model for lambda-doublet propensities in bimolecular reactionsA simple geometric model is presented to account for lambda-doublet propensities in bimolecular reactions A + BC - AB + C. It applies to reactions in which AB is formed in a pi state, and in which the unpaired molecular orbital responsible for lambda-doubling arises from breaking the B-C bond. The lambda-doublet population ratio is predicted to be 2:1 provided that: (1) the motion of A in the transition state determines the plane of rotation of AB; (2) the unpaired pi orbital lying initially along the B-C bond may be resolved into a projection onto the AB plane of rotation and a projection perpendicular to this plane; (3) there is no preferred geometry for dissociation of ABC. The 2:1 lambda-doublet ratio is the 'unconstrained dynamics prior' lambda-doublet distribution for such reactions.
Document ID
19900061997
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Bronikowski, Michael J.
(Stanford Univ. CA, United States)
Zare, Richard N.
(Stanford University CA, United States)
Date Acquired
August 14, 2013
Publication Date
February 9, 1990
Publication Information
Publication: Chemical Physics Letters
Volume: 166
ISSN: 0009-2614
Subject Category
Atomic And Molecular Physics
Accession Number
90A49052
Funding Number(s)
CONTRACT_GRANT: NSF CHE-87-05131
CONTRACT_GRANT: NAG2-472
Distribution Limits
Public
Copyright
Other

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