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Compression and probing C−H···I hydrogen bonds of iodoform under high pressure by x-ray diffraction and raman scattering
journal contribution
posted on 2009-01-01, 00:00 authored by Dan LiuDan Liu, Weiwei LeiWeiwei Lei, K Wang, G Bao, F Li, J Hao, B Liu, T Cui, Q Cui, G ZouHigh-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.
History
Journal
Journal of physical chemistry BVolume
113Issue
21Pagination
7430 - 7434Publisher
American Chemical SocietyLocation
Washington, D.C.Publisher DOI
ISSN
1520-6106eISSN
1520-5207Language
engPublication classification
C1.1 Refereed article in a scholarly journalCopyright notice
2009, American Chemical SocietyUsage metrics
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