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Predicted Heats of Formation for Methylsilylene and Dimethylsilylene
Organometallics (1989)
  • Mark S. Gordon
  • Jarry A. Boatz
Abstract

Ab initio calculations at the MP216-31G(d,p) level of computation, combined with a sequence of isodesmic reactions, have been used to predict the heats of formation of methylsilylene and dimethylsilylene to be 49.2 and 32-33 kcallmol, respectively. These results are discussed in the light of recent experimental determinations in the accompanying experimental papers.

Disciplines
Publication Date
August, 1989
Publisher Statement
Reprinted (adapted) with permission from Organometallics 9 (1989): 1978, doi:10.1021/om00110a022. Copyright 1989 American Chemical Society.
Citation Information
Mark S. Gordon and Jarry A. Boatz. "Predicted Heats of Formation for Methylsilylene and Dimethylsilylene" Organometallics Vol. 8 Iss. 8 (1989)
Available at: http://works.bepress.com/mark_gordon/87/