The Optically-active Vibration and Elastic Constant of Soda-niter
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概要
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A force field which reproduces satisfactorily both the observed vibrational frequencies and the elastic constants has been determined for the sodium nitrate crystal using the short-range interaction model. In addition to the short-range interactions, the long-range interactions of the vibrationally-induced dipoles were also taken into consideration on the basis of the rigid-ion model; those effective charges which explain fairly well the observed TO–LO frequency splittings were obtained. The distribution of the effective charges on each atom was examined; the best set of effective charges has been found to be <I>Z</I><SUB>Na</SUB>=0.87<I>e</I>, <I>Z</I><SUB>N</SUB>=0.17<I>e</I>, and <I>Z</I><SUB>o</SUB>=−0.35<I>e</I>.
- 公益社団法人 日本化学会の論文
著者
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Yamamoto Akio
Department Of Applied Chemistry Graduate School Of Science And Engineering And Advanced Research Cen
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Murata Hiromu
Department of Chemistry, Faculty of Science, Hiroshima University
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Shiro Yuji
Shinonome Branch School, Faculty of Education, Hiroshima University
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