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