Issue 58, 2003

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

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

Article information

Article type
Paper
Submitted
29 iyl 2003
Accepted
18 avq 2003
First published
01 sen 2003

CrystEngComm, 2003,5, 331-336

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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