摘要
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(CrO6)9-团簇内的O2-离子存在较强的局域极化效应.
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 Cr^3 ＋ ：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.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
2010年第5期3450-3454,共5页
Acta Physica Sinica
基金
西南交通大学青年教师科研起步项目(批准号:2008Q102)
国家自然科学基金(批准号:10774103)资助的课题~~
