Article
Theoretical Study of Methylsilanone and Five of Its Isomers
Journal of the American Chemical Society
(1984)
Abstract
By use of 3-21G SCF geometries and relative energies from MP3/6-31G* wave functions, methylsilanone has been found to be the most stable of the six isomers investigated. The relative stabilities of methylsilanone and silylformaldehyde are rationalized by the metathesis reaction H 2Si0 + C2H4 .... H 2CO + H 2CSiH4. This reaction is used to suggest that the C=O bond is about 10 kcaljmol stronger than Si=O.
Disciplines
Publication Date
February, 1984
Publisher Statement
Reprinted (adapted) with permission from Journal of the American Chemical Society 106 (1984): 609, doi:10.1021/ja00315a025. Copyright 1984 American Chemical Society.
Citation Information
Mark S. Gordon and Clayton George. "Theoretical Study of Methylsilanone and Five of Its Isomers" Journal of the American Chemical Society Vol. 106 Iss. 3 (1984) Available at: http://works.bepress.com/mark_gordon/36/