Compression and probing C−H···I hydrogen bonds of iodoform under high pressure by x-ray diffraction and raman scattering
Data(s) |
01/01/2009
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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 | |
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 |