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

Rathna, A and Chandrasekhar, J (1994) Factors contributing to phantom bonds in inorganic molecules: Interpretations and predictions. In: Proceedings of the indian academy of sciences -chemical sciences, 106 (3). pp. 599-607.

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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 pi-complex formation to proposals such as the unsupported pi-bond model and the sigma-bridged-pi 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 by ab initio calculations.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Indian academy of sciences.
Keywords: Phantom bond;3-centre 2-electron bond;inorganic rings; silicon;boron;MO calculations.
Department/Centre: Division of Chemical Sciences > Organic Chemistry
Date Deposited: 13 Apr 2011 05:43
Last Modified: 13 Apr 2011 05:43
URI: http://eprints.iisc.ernet.in/id/eprint/36467

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