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Localized orbital calculations of the bonding in SO, SO2F2, ClO3F and SOCL2

✍ Scribed by M. F. Guest; I. H. Hillier

Publisher
John Wiley and Sons
Year
1972
Tongue
English
Weight
308 KB
Volume
6
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Localized valence molecular orbitals have been obtained for SO, SO~2~F~2~, ClO~3~F and SOCl~2~ by the method due to Boys and Foster. The bonding in these molecules, in which the second row atom is exhibiting an excess valency, is discussed in terms of the form of these localized orbitals. The bonding of the second row atom to an oxygen atom is described by three bent bond orbitals, whilst bonding to a halogen atom is described by a single bond orbital. The participation of 3__d__ functions in the various bonding and nonbonding orbitals is analysed in this localized orbital framework.

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