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Updated: Jun 3, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Structural properties and halogen bonds of cyanuric chloride under high pressure
Kai Wang1, Defang Duan, Mi Zhou
1State Key Laboratory of Superhard Materials, Jilin University, Changchun, China.
Abstract:
The effects of high pressure on cyanuric chloride (C(3)N(3)Cl(3)), a remarkable crystal structure dominated by halogen bonds, have been studied by synchrotron X-ray diffraction and Raman spectroscopy in a diamond anvil cell. The results of high pressure experiments revealed that there was no obvious phase transition up to 30 GPa, indicating that halogen bonding is an effective noncovalent interaction to stabilize the crystal structure. Moreover, cyanuric chloride exhibited a high compressibility and a strong anisotropic compression, which can be explained by the layered crystal packing. Ab initio calculations were also performed to account for the high pressure Raman spectra and the high pressure behavior of halogen bonding.
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