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Article
Structure and Stability of a Silicon-Carbon Triple Bond
Journal of the American Chemical Society (1981)
  • Mark S. Gordon
  • John A. Pople
Abstract

The stability of the carbon-silicon triple bond in silaethyne is investigated via an analysis of its isomerization to silylidene and through a study of its hydrogenation energy relative to acetylene and silaethylene. It is found that silaethyne is rather unstable in a thermodynamic sense. However, while SCF calculations predict this species to rearrange to its more stable isomer with no barrier, the introduction of perturbation corrections suggests the existence of a small barrier separating the two isomers.

Disciplines
Publication Date
June, 1981
Publisher Statement
Reprinted (adapted) with permission from Journal of the American Chemical Society 103 (1981): 2945, doi:10.1021/ja00401a006. Copyright 1981 American Chemical Society.
Citation Information
Mark S. Gordon and John A. Pople. "Structure and Stability of a Silicon-Carbon Triple Bond" Journal of the American Chemical Society Vol. 103 Iss. 11 (1981)
Available at: http://works.bepress.com/mark_gordon/28/