Quantum Effects on the Orientational Ordering of H_2S and D_2S Molecules Enclosed in β-Quinol Clathrate

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概要

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• A system of planar rotators representing H_2S and D_2S molecules is investigated quantum-statistically, using the mean-field approximation based on an eight-sublattice model. The equilibrium molecular orientation is determined by competition among the dipole-dipole interaction between guest molecules, the host-guest interaction and the quantum kinetic energy. The system has a complex order parameter describing an average direction of dipoles. Both R1 and R3 structures and the effect of the depolarization field are studied. A comparison with experiment by use of theoretical phase diagrams gives : the low-temperature phase has the R1 structure with an antiferroelectric order of dipoles ; the direction and arrangement of dipoles in equilibrium for H_2S significantly differ from those for D_2S because of the quantum nature of the rotational motion.

• 社団法人日本物理学会の論文
• 1994-02-15

著者

• MATSUO Takasuke

  Department of Chemistry,Graduate School of Science,Osaka University

• Hirokawa S

  Kyushu Inst. Design Fukuoka

• Hirokawa Shoji

  Laboratory Of Chemistry Department Of Environmental Design Kyushu Institute Of Design

• Imasaka T

  Kyushu Inst. Design Fukuoka

• Imasaka Tomoko

  Laboratory Of Chemistry Department Of Environmental Design Kyushu Institute Of Design

• Matsuo Takasuke

  Department Of Chemistry Faculty Of Science Osaka University

• Matsuo Takasuke

  Department Of Chemistry And The Microcalorimetry Research Center Graduate School Of Science Osaka Un

• MATSUO Takasuke

  Department of Chemistry and Microcalorimetry Research Center, Faculty of Science, Osaka University

• Matsuo Takasuke

  Department of Chemistry and Chemical Thermodynamics Laboratory, Faculty of Science, Osaka University

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