title: Structural properties and halogen bonds of cyanuric chloride under high pressure.
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.
authors: State Key Laboratory of Superhard Materials, Jilin University, Changchun, China.
authors: Kai
authors: K
authors: Wang
authors: Defang
authors: D
authors: Duan
authors: Mi
authors: M
authors: Zhou
authors: Shourui
authors: S
authors: Li
authors: Tian
authors: T
authors: Cui
authors: Bingbing
authors: B
authors: Liu
authors: Jing
authors: J
authors: Liu
authors: Bo
authors: B
authors: Zou
authors: Guangtian
authors: G
authors: Zou