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Behavior of intermolecular interactions in alpha-glycine under high pressure
| Title: | Behavior of intermolecular interactions in alpha-glycine under high pressure |
| Authors: | Shinozaki, Ayako Browse this author | | Komatsu, Kazuki Browse this author | | Kagi, Hiroyuki Browse this author | | Fujimoto, Chikako Browse this author | | Machida, Shinichi Browse this author | | Sano-Furukawa, Asami Browse this author | | Hattori, Takanori Browse this author |
| Keywords: | Mechanical instruments | | Crystal lattices | | X-ray diffraction | | Neutron scattering | | Chemical elements | | Intermolecular forces | | Amino acid | | Hydrogen bonding | | Crystal structure | | Bond length |
| Issue Date: | 28-Jan-2018 |
| Publisher: | American Institute of Physics (AIP) |
| Journal Title: | Journal of chemical physics |
| Volume: | 148 |
| Issue: | 4 |
| Start Page: | 044507 |
| Publisher DOI: | 10.1063/1.5009980 |
| PMID: | 29390805 |
| Abstract: | Pressure-response on the crystal structure of deuterated alpha-glycine was investigated at room temperature, using powder and single-crystal X-ray diffraction, and powder neutron diffraction measurements under high pressure. No phase change was observed up to 8.7 GPa, although anisotropy of the lattice compressibility was found. No significant changes in the compressibility and the intramolecular distance between non-deuterated alpha-glycine and deuterated alpha-glycine were observed. Neutron diffraction measurements indicated the distance of the intermolecular D center dot center dot center dot O bond along with the c-axis increased with compression up to 6.4 GPa. The distance of another D center dot center dot center dot O bond along with the a-axis decreased with increasing pressure and became the shortest intermolecular hydrogen bond above 3 GPa. In contrast, the lengths of the bifurcated N-D center dot center dot center dot O and C-D center dot center dot center dot O hydrogen bonds, which are formed between the layers of the alpha-glycine molecules along the b-axis, decreased significantly with increasing pressure. The decrease of the intermolecular distances resulted in the largest compressibility of the b-axis, compared to the other two axes. The Hirshfeld analysis suggested that the reduction of the void region size, rather than shrinkage of the strong N-D center dot center dot center dot O hydrogen bonds, occurred with compression. Published by AIP Publishing. |
| Rights: | The following article appeared in The Journal of Chemical Physics 148, 044507 2018 and may be found at doi:10.1063/1.5009980 |
| Type: | article |
| URI: | http://hdl.handle.net/2115/72388 |
| Appears in Collections: | 理学院・理学研究院 (Graduate School of Science / Faculty of Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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Submitter: 篠崎 彩子
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