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中国物理学会期刊

绿宝石晶体中(CrO6)9-团簇局域极化现象的理论研究

CSTR: 32037.14.aps.59.3450

Theoretical study of local polarization phenomena of (CrO6)9-cluster in emerald

CSTR: 32037.14.aps.59.3450
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  • 基于配位场理论,建立d3组态离子在三角晶场中的完全能量矩阵,采用完全能量矩阵的对角化计算方法,研究了绿宝石晶体Cr3+:Be3Al2(SiO3)6的光谱和EPR谱,理论值与实验值符合得很好.通过分析绿宝石晶体中(CrO6)9-团簇的光谱和EPR谱,研究了配体在络合物中的极化现象.结果表明由于周围配位环境的影响,绿宝石晶体中(CrO<

     

    By diagonalizing the complete energy matrix for d3 configuration ion in a trigonal ligand-field based on ligand-field theory,optical and EPR spectra of Cr3+:Be3Al2(SiO3)6 system are studied,the results of which are in good agreement with experimental facts. By analyzing optical and EPR spectra of (CrO6)9- cluster,the local polarization of oxygen ligands in (CrO6)9- cluster are studied. Results show that oxygen ligands in (CrO6)9- cluster exhibit remarkable polarization effect due to the effect of surrounding environment.

     

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