Nature of the Hydrogen Bond in Tetragonal KDP (KH_2PO_4)Observed by Maximum Entropy Method
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概要
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In order to explore the nattrre of the hydrogen bond, the electron density distribution of'KH2PO4 (KDP) at IOOITI teznperature wars obtained by the naaxiuntrrn entropy naethod (IVIEIN/I)trsing syu?chrotron radiation X-ray poxvder difl'raction data. In the obtained electron densitydistribution naaps, the contour lines linked the two oxygen atorns of neighlcoring PG,j grotrpsand a hydrogen-bonding network was clearrly seen. Hoxvever, no local tnaxitaaa of electron densitydue to hydrogen atonas xvere recognized. This figtrre of' hydrogen bonding in KDP is siuaailar tothat in ice ([j), which is the only hydrogen-bonded compotrnd previotrsly analyzed by MBIVI. Inboth cases, the hydrogen atonas are believed to be disordered between the two oxygen atoms.The present sttrdy shows that the character of tlae hydrogen bond in crystalline naaterials can bedescribed clearly by IVIEIVI, even in the case where lae?tvier atotns strch as K and P exist besides0 atoms.
- 社団法人日本物理学会の論文
- 1998-12-15
著者
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TAKATA Masaki
Department of Applied Physics, Nagoya University
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SAKATA Makoto
Department of Applied Physics, Nagoya University
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Takata Masaki
Department Of Applied Physics School Of Engineering Nagoya University
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Takata Masaki
Department Of Material Science Interdisciplinary Faculty Of Science And Engineering Shimane Universi
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Sakata Makoto
Department Of Applied Physics Faculty Of Engineering Nagoya University
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Sugawara Yoko
Department Of Physics School Of Science Kitasato University
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YAMAMURA Shigefumi
Department of Physics,School of Science,Kitasato University
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Sakata Makoto
Department Of Applied Physics Graduate School Of Engineering Nagoya University
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Yamamura Shigefumi
Department Of Physics School Of Science Kitasato University
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