Factors contributing to phantom bonds in inorganic molecules: interpretations and predictions

Rathna, A. ; Chandrasekhar, Jayaraman (1994) Factors contributing to phantom bonds in inorganic molecules: interpretations and predictions Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (3). pp. 599-607. ISSN 0253-4134

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Official URL: http://www.ias.ac.in/j_archive/chemsci/106/6/599-6...

Related URL: http://dx.doi.org/10.1007/BF02911090

Abstract

The validity of various qualitative proposals for interpreting and predicting the existence of short contacts between formally non-bonded atoms, as in cyclodisiloxane and related inorganic ring systems, is critically evaluated. The models range from simple considerations of geometric constraints, lone pair repulsions and π-complex formation to proposals such as the unsupported π-bond model and the s-bridged-π bond concept. It is pointed out that a unified description based on a combination of closed and open 3-centre 2-electron bonds is possible. The role of hybridisation is emphasized in the short phantom bond computed in an earlier model system. These insights are used to predict structures with exceptionally short Si..Si and B..B phantom bonds. The proposals are confirmed byab initio calculations.

Item Type:Article
Source:Copyright of this article belongs to Indian Academy of Sciences.
Keywords:Phantom Bond; 3-Centre 2-Electron Bond; Inorganic Rings; Silicon; Boron; MO Calculations
ID Code:7487
Deposited On:25 Oct 2010 11:24
Last Modified:16 May 2016 17:40

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