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Updated: Sep 25, 2025
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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Insights into the Molecular Dynamics of Quasi-Spherical (Chloromethyl)triethylammonium Confined in a Weakly Bound
Ci-Ci Sun1, Wang Li1, De-Xuan Liu2
1Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education, College of Chemistry and Chemical Engineering, Jiangxi Normal University, Nanchang 330022, China.
Abstract:
Here, we report a weakly bound ionic cocrystal, (Et3NCH2Cl)2[ZnCl4], which undergoes a reversible structural phase transition owing to the switched molecular dynamics of the quasi-spherical (Et3NCH2Cl)+ cation from static to dynamic. Interestingly, a unique rolling and moving mechanism is uncovered for such a cation in the high-temperature phase, where its two methylene groups exhibit different kinetic energy barriers. This study provides a meaningful insight into the solid-state molecular dynamics of large-size quasi-spherical molecules that contain both a rigid core and flexible shell.
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