Optically-active Vibrations and Effective Charges of Calcite and Magnesite
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概要
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A rigid-ion model analysis was made for the optically-active crystal vibrations of calcite (CaCO<SUB>3</SUB>) and magnesite (MgCO<SUB>3</SUB>) with reference to the previous vibrational treatments. The effects of the effective charge distribution on the TO–LO splittings of the lattice modes were examined on the proposed distribution model, and the effective charges have been found: <I>Z</I><SUB>ca</SUB>=1.21, <I>Z</I><SUB>c</SUB>=0.20, and <I>Z</I><SUB>o</SUB>=−0.47 in calcite, and <I>Z</I><SUB>Mg</SUB>=1.28, <I>Z</I><SUB>c</SUB>=0.21, and <I>Z</I><SUB>o</SUB>=−0.50 in magnesite, all in electron units. The force fields and effective charges determined in the present study reproduce satisfactorily the observed transverse and longitudinal frequencies of the optically-active lattice vibrations.
- 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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