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Article type: Research Article
Authors: Kagi, H. | Nagai, T. | Komatsu, K.; | Okada, T.; | Wada, C. | Loveday, J.S. | Parise, J.B.
Affiliations: Laboratory for Earthquake Chemistry, Graduate School of Science, The University of Tokyo, Tokyo 113-0033, Japan | Department of Earth and Space Science, Graduate School of Science, Osaka University, Osaka 560-0043, Japan | Institute of Mineralogy, Petrology, and Economic Geology, Graduate School of Science, Tohoku University, Miyagi 980-8578, Japan | Department of Physics and Astronomy, The University of Edinburgh, Edinburgh EH93JZ, UK | Departments of Geosciences and Chemistry, SUNY at Stony Brook, Stony Brook, NY 11794-2100, USA
Note: [] Corresponding author. E-mail: [email protected]
Note: [] Present address: Department of Earth and Planetary Materials Science, Graduate School of Science, Hokkaido University, Sapporo 060-0810, Japan.
Abstract: Pressure responses of hydrogen bonding interactions were compared between potassium hydrogen carbonate (KHCO3) and sodium hydrogen carbonate (NaHCO3). KHCO3 undergoes a pressure-induced structural change at 2.8 GPa and room temperature whereas no phase transition has been found so far for NaHCO3 up to 11 GPa. KHCO3 exhibits a substantial decrease in the O—H···O angle with increasing pressure. This change could be a trigger for the phase transition at 2.8 GPa. By contrast, no significant change in O—H···O angle was observed for NaHCO3 up to 7 GPa. Based on the observations using neutron diffraction, X-ray diffraction and vibrational spectroscopy at high pressure, a possible mechanism for the phase transition of KHCO3 is suggested. In addition, the phase boundary of KHCO3 caused by the pressure-induced transition was determined using in situ Raman spectroscopy at high pressure.
Keywords: Hydrogen bond, High pressure, Neutron diffraction, Phase transition, Hydrogen carbonate, Earth science
DOI: 10.1080/10238160412331297782
Journal: Journal of Neutron Research, vol. 13, no. 1-3, pp. 21-26, 2005
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