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Updated: Jun 24, 2026

High-Pressure NMR Experiments for Detecting Protein Low-Lying Conformational States
Published on: June 29, 2021
Compression and probing C-H...I hydrogen bonds of iodoform under high pressure by X-ray diffraction and Raman
Dan Liu1, Weiwei Lei, Kai Wang
1National Laboratory of Superhard Materials, Jilin University, Changchun 130012, People's Republic of China.
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.
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