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Relative Stability of Multiple Bonds to Silicon: An ab Initio Study of C2SiH4 Isomers
Journal of the American Chemical Society (1981)
  • Mark S. Gordon
  • Robert D. Koob
Abstract

Ab initio (6-31G*/ /3-21G) SCF calculations have been carried out on 15 isomers with the chemical formula C2SiH4• The isomers include structures with formal double and triple bonds to silicon, as well as carbenes and silylenes, so a direct comparison of these types of species is possible. The isomerization energies provide an opportunity to consider the relative strengths of analogous bonds to carbon and silicon. With the appropriate isodesmic reactions, the stabilizing or destabilizing effects of substituents and strain in three-membered rings both may be investigated.

Disciplines
Publication Date
June, 1981
Publisher Statement
Reprinted (adapted) with permission from Journal of the American Chemical Society 103 (1981): 2939, doi:10.1021/ja00401a005. Copyright 1981 American Chemical Society.
Citation Information
Mark S. Gordon and Robert D. Koob. "Relative Stability of Multiple Bonds to Silicon: An ab Initio Study of C2SiH4 Isomers" Journal of the American Chemical Society Vol. 103 Iss. 11 (1981)
Available at: http://works.bepress.com/mark_gordon/27/