title: Compression and probing C-H...I hydrogen bonds of iodoform under high pressure by X-ray diffraction and Raman scattering.
abstract: High-pressure methods were applied to investigate the structural stability and hydrogen bonding of polar molecules of iodoform by synchrotron radiation X-ray diffraction and Raman spectra measurements, respectively. Up to a pressure of 40 GPa, no phase transitions were observed. The discontinuous frequency shift of the C-H stretching band is believed to be related to the enhancement of the C-H...I weak hydrogen bonds under high pressures. Ab initio calculations were performed, and the results predict the frequency shift of the C-H stretching vibration as C-H...I interacts via hydrogen bonding. The bulk modulus is 17.3+/-0.8 GPa, with a pressure derivative of 5.2.
authors.affiliation: National Laboratory of Superhard Materials, Jilin University, Changchun 130012, People's Republic of China.
authors.forename: Dan
authors.initials: D
authors.lastname: Liu
authors.forename: Weiwei
authors.initials: W
authors.lastname: Lei
authors.forename: Kai
authors.initials: K
authors.lastname: Wang
authors.forename: Gang
authors.initials: G
authors.lastname: Bao
authors.forename: Fangfei
authors.initials: F
authors.lastname: Li
authors.forename: Jian
authors.initials: J
authors.lastname: Hao
authors.forename: Bingbing
authors.initials: B
authors.lastname: Liu
authors.forename: Tian
authors.initials: T
authors.lastname: Cui
authors.forename: Qiliang
authors.initials: Q
authors.lastname: Cui
authors.forename: Guangtian
authors.initials: G
authors.lastname: Zou