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Issue 58, 2003

Supramolecular Sn⋯Cl associations in diorganotin dichlorides and their influence on molecular geometry as studied by ab initio molecular orbital calculations

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Abstract

A number of supramolecular architectures based on hypervalent Sn⋯Cl interactions are observed in a series of eight R2SnCl2 structures ranging from tetrameric assemblies to a variety of polymeric motifs. The absence of Sn⋯Cl interactions in the crystal lattice of tBu2SnCl2 may be attributed to the bulky size of the tin-bound t-butyl groups that precludes such interactions. The influence of the supramolecular aggregation upon molecular geometry has been investigated using ab initio molecular orbital calculations. These show that invariably more symmetric structures are observed in the absence of hypervalent Sn⋯Cl interactions.

Graphical abstract: Supramolecular Sn⋯Cl associations in diorganotin dichlorides and their influence on molecular geometry as studied by ab initio molecular orbital calculations

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Publication details

The article was received on 29 Jul 2003, accepted on 18 Aug 2003 and first published on 01 Sep 2003


Article type: Paper
DOI: 10.1039/B308922C
Citation: CrystEngComm, 2003,5, 331-336
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    Supramolecular Sn⋯Cl associations in diorganotin dichlorides and their influence on molecular geometry as studied by ab initio molecular orbital calculations

    M. A. Buntine, F. J. Kosovel and E. R. T. Tiekink, CrystEngComm, 2003, 5, 331
    DOI: 10.1039/B308922C

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