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The use of transition-state theory to extrapolate rate coefficients for reactions of OH with alkanes

✍ Scribed by N. Cohen

Publisher: John Wiley and Sons
Year: 1983
Tongue: English
Weight: 95 KB
Volume: 15
Category: Article
ISSN: 0538-8066
DOI: 10.1002/kin.550150509

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✦ Synopsis

An error was discovered in the method used for calculating the moments of inertia for the internal rotations in the activated complex. In order to retain good agreement between theory and experiment, it was necessary to change some other molecular parameters of the activated complex. The following changes accomplish this; they are also more consistent with other, independent data.

The C-H-0 bond angle is assumed to be 160" rather than 135". This is closer to the angle of 165" calculated by Walch and Dunning [l] for the

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