ISSN:
0538-8066
Keywords:
Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Conventional transition-state theory is used for extrapolating rate coefficients for reactions of O atoms with alkanes to temperatures above the range of experimental data. Expressions are developed for estimating structural properties of the activated complex necessary for calculating enthalpies and entropies of activation. Particular attention is given to the problem of the effect of the O atom adduct on the internal rotations in the activated complex. Differences between primary, secondary, and tertiary attack are discussed, and the validity of representing the activated complexes of all O + alkane reactions by a fixed set of vibrational frequencies and other internal modes is evaluated. Experimental data for reactions of O atoms with 15 different alkanes (CH4, C2H6, C3H8, C4H10, C5H12, C6H14, C7H16, C8H18, i-C4H10, (CH3)4C, (CH3)2CHCH(CH3)2, (CH3)3CC(CH3)3, c-C5H10, c-C6H12, c-C7H14) are reviewed.The following approximate expressions for ΔS
Additional Material:
18 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/kin.550180109
