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Updated: Jun 29, 2025

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Exploring the full range of N⋯I⋯X halogen-bonding interactions within a single compound using pressure
Richard H Jones1, Craig L Bull2,3, Nicholas P Funnell2
1School of Chemical and Physical Sciences, Lennard-Jones Building, Keele University, Keele, Staffs ST5 5BG, UK. r.h.jones@keele.ac.uk.
Abstract:
The response of the trimethylammonium-iodinechloride and diiodide (TMA-ICl/I2) crystal structures have been examined under high pressure using neutron powder diffraction. TMA-ICl exhibits impressive pressure-driven electronic flexibility, where the N⋯I-Cl interactions progressively encompass all the distances represented in analogous structures recorded in the Cambridge Structural Database. Comparison with the TMA-I2 complex reveals that this flexibility is owed to the electronegativity of the chlorine atom which induces increased distortion of the iodine electron cloud. This structural flexibility may be influential in the future design of functional molecular materials.
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