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Theoretical Studies of Cyclic C2SI2H4 Molecules
Organometallics (1984)
  • Thomas A. Holme
  • Mark S. Gordon
  • Satoshi Yabushita
  • Michael W. Schmidt

Thirteen cyclic C2Si2H4 isomers, including disilatetrahedrane and the disilacyclobutadienes, have been studied by using ab initio quantum mechanics. At the MP3/6-31G* / /3-21G level of computation, the silyl-substituted silacyclopropenylidene is found to be the most stable. Disilatetrahedrane is quite high on the energy surface, and the two possible planar 1,2-disilacyclobutadienes do not represent minima on this surface. Planar 1,3-disilacyclobutadiene is a stable structure and exhibits significant diradical character.

Publication Date
April, 1984
Publisher Statement
Reprinted (adapted) with permission from Organometallics 3 (1984): 583, doi:10.1021/om00082a013. Copyright 1984 American Chemical Society.
Citation Information
Thomas A. Holme, Mark S. Gordon, Satoshi Yabushita and Michael W. Schmidt. "Theoretical Studies of Cyclic C2SI2H4 Molecules" Organometallics Vol. 3 Iss. 4 (1984)
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