Compression and probing C−H···I hydrogen bonds of iodoform under high pressure by x-ray diffraction and raman scattering


Autoria(s): Liu, Dan; Lei, Weiwei; Wang, Kai; Bao, Gang; Li, Fangfei; Hao, Jian; Liu, Bingbing; Cui, Tian; Cui, Qiliang; Zou, Guangtian
Data(s)

01/01/2009

Resumo

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.<br />

Identificador

http://hdl.handle.net/10536/DRO/DU:30047832

Idioma(s)

eng

Publicador

American Chemical Society

Relação

http://dro.deakin.edu.au/eserv/DU:30047832/lei-compressionandprobing-2009.pdf

http://dx.doi.org/10.1021/jp900467z

Direitos

2009, American Chemical Society

Tipo

Journal Article