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

Liu, Dan, Lei, Weiwei, Wang, Kai, Bao, Gang, Li, Fangfei, Hao, Jian, Liu, Bingbing, Cui, Tian, Cui, Qiliang and Zou, Guangtian 2009, Compression and probing C−H···I hydrogen bonds of iodoform under high pressure by x-ray diffraction and raman scattering, Journal of physical chemistry B, vol. 113, no. 21, pp. 7430-7434, doi: 10.1021/jp900467z.

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Title Compression and probing C−H···I hydrogen bonds of iodoform under high pressure by x-ray diffraction and raman scattering
Author(s) Liu, DanORCID iD for Liu, Dan orcid.org/0000-0001-6875-419X
Lei, WeiweiORCID iD for Lei, Weiwei orcid.org/0000-0003-2698-299X
Wang, Kai
Bao, Gang
Li, Fangfei
Hao, Jian
Liu, Bingbing
Cui, Tian
Cui, Qiliang
Zou, Guangtian
Journal name Journal of physical chemistry B
Volume number 113
Issue number 21
Start page 7430
End page 7434
Total pages 5
Publisher American Chemical Society
Place of publication Washington, D.C.
Publication date 2009
ISSN 1520-6106
1520-5207
Summary 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.
Language eng
DOI 10.1021/jp900467z
Field of Research 020406 Surfaces and Structural Properties of Condensed Matter
029904 Synchrotrons
020503 Nonlinear Optics and Spectroscopy
Socio Economic Objective 970102 Expanding Knowledge in the Physical Sciences
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2009, American Chemical Society
Persistent URL http://hdl.handle.net/10536/DRO/DU:30047832

Document type: Journal Article
Collection: Institute for Frontier Materials
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