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Updated: Apr 26, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
The halogen bond in thiirane···ClF: an example of a Mulliken inner complex
1Department of Chemistry, University of Sheffield, Sheffield S3 7HF, UK. grant.hill@sheffield.ac.uk.
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.
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