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Issue 36, 2014
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The halogen bond in thiirane⋯ClF: an example of a Mulliken inner complex

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Abstract

The halogen bond in the thiirane⋯ClF complex is shown to be unusually strong using high-accuracy ab initio methods. Investigating the underlying mechanism of the interaction reveals a significant increase in charge transfer and suggests it should be labelled as a Mulliken inner complex.

Graphical abstract: The halogen bond in thiirane⋯ClF: an example of a Mulliken inner complex

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Supplementary files

Article information


Submitted
31 Jul 2014
Accepted
01 Aug 2014
First published
05 Aug 2014

Phys. Chem. Chem. Phys., 2014,16, 19137-19140
Article type
Communication

The halogen bond in thiirane⋯ClF: an example of a Mulliken inner complex

J. Grant Hill, Phys. Chem. Chem. Phys., 2014, 16, 19137
DOI: 10.1039/C4CP03412K

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