Exploring the full range of N⋯I⋯X halogen-bonding interactions within a single compound using pressure †

Jones, Richard H.; Bull, Craig L.; Funnell, Nicholas P.; Knight, Kevin S.; Marshall, William G.

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.

Citation

Jones, R. H., Bull, C. L., Funnell, N. P., Knight, K. S., & Marshall, W. G. (in press). Exploring the full range of N⋯I⋯X halogen-bonding interactions within a single compound using pressure †. Chemical Communications, https://doi.org/10.1039/d4cc00847b

• Journal Article Type: Article
• Acceptance Date: Mar 25, 2024
• Online Publication Date: Mar 27, 2024
• Deposit Date: Apr 15, 2024
• Publicly Available Date: Apr 15, 2024
• Journal: Chemical Communications
• Print ISSN: 1359-7345
• Electronic ISSN: 1364-548X
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• DOI: https://doi.org/10.1039/d4cc00847b