Electron Delocalization Weight of the Hydrogen Bond in KH_2PO_4
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概要
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The electron delocalization weight of the hydrogen bond in the KH_2PO_4 crystal is obtained. From the change of x^<(2)>_<ijk> (second-order nonlinear polarizability) associated with the ferroelectric phase transition, the ionicity f_1 of the P-O bond is determined. Then, the covalent electron distribution in O-H…H bonding is calculated. It is concluded that the electron delocalization of the hydrogen bond in KH_2PO_4 is very strong, which is very different from the results obtained by other authors using different methods.
- 社団法人日本物理学会の論文
- 1972-09-05
著者
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HIDAKA Takehiko
Electrical Engineering, Shonan Institute of Technology
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Hidaka Takehiko
Electrotechnical Laboratory
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