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The unimolecular dissociation of the iso-propyl radical

✍ Scribed by S.H. Robertson; D.M. Wardlaw

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
495 KB
Volume
199
Category
Article
ISSN
0009-2614

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✦ Synopsis

A detailed derivation ofthe density of states function for both the iso-propyl radical and the propene molecule is given. Classical kinetic energy coupling between internal and external rotorsis treated exactly for rigid-frame models having attached symmetric tops. Formulae for both free and hindered internal rotation arc presented. A free rotor treatment which includes kinetic energy coupling yields a density of states which differs from that obtained by assuming independent internal rotation. A hindered mtor treatment has an additional, and temperature dependent, effect on the density of states. Inclusion of kinetic energy coupling and hindering potential affect the values of physical parameters extracted from fits to kinetic data for the title reaction.

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