Article
Predicted Enthalpies of Formation for Methyl-Substituted Disilanes
Journal of Physical Chemistry
(1990)
Abstract
Entha1pies of formation of the entire series of methyl-substituted disilanes, Si2(CH3)kH6_k (k = 1-6), are predicted by using homodesmic reactions at the MP2/6-31G(d)/ /RHF /3-21G* level of theory. The calculated values are systematically higher than the values suggested by Walsh but are in excellent agreement with the kinetic data of O'Neal, Ring, and co-workers.
Disciplines
Publication Date
May, 1990
Publisher Statement
Reprinted (adapted) with permission from Journal of Physical Chemistry 94 (1990): 3874, doi:10.1021/j100373a003. Copyright 1990 American Chemical Society.
Citation Information
Jerry A. Boatz and Mark S. Gordon. "Predicted Enthalpies of Formation for Methyl-Substituted Disilanes" Journal of Physical Chemistry Vol. 94 Iss. 10 (1990) Available at: http://works.bepress.com/mark_gordon/91/