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Stability and bonding of disilyne and its isomers: A generalized valence bond-effective potential study

✍ Scribed by Lawrence C. Snyder; Zelda R. Wasserman; Jules W. Moskowitz

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
664 KB
Volume
21
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

We have employed an effective potential and a single‐zeta basis in SCF–MO computations to estimate the relative stability of linear disilyne HSiSiH and five isomeric structures defined in earlier all‐electron ab initio SCF–MO computations. The effect of electron correlation has been estimated by generalized valence‐bond (GVB) computations for the five valence electron pairs of these structures. All our computations indicate that linear disilyne is the least stable structure and that H~2~SiSi, the silicon analog of vinylidene carbene, is the most stable structure. In these structures silicon occurs in divalent and tetravalent states. The nature of silicon bonding in these valence states is illustrated by contour diagrams of the GVB orbital pairs.

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