论(MnF_6)^(4-)团簇光谱参量D_q的R^(-n)律  

On the R^(-n)law of the spectral parameter D_q in (MnF_6)^(4-) cluster

作　　者：赵键中[1] 邝小渝[2] 周康巍[2] 

机构地区：[1]四川大学化学工程学院 [2]四川大学原子分子物理所,成都610065

出　　处：《原子与分子物理学报》2001年第2期197-199,共3页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金!资助项目 (批准号 :10 0 740 47)

摘　　要：用配位球壳势模型研究了络合分子中过渡金属离子光谱参量Dq 与金属 -配体间键长R的R-n律关系。结果表明指数n的变化趋势依赖于配位球壳半径R的增大或减小 ,在点电荷模型下n值将小于 5且随R的减小而减小。在 (MnF6) 4-团簇键长的实验范围内 (R =0 .2 0 7nm←→ 0 .2 14nm) ,理论计算值n =4.488与实验观测值n =4.45符合得很好。The R -n law of the spectral parameter D q vs the metal ligand bond length R has been studied by use of the ligand field model. The investigation shows that the variation of the exponent n depends on the value of R . The physical mechanism reflected by the variable n has been attributed to the fact that the ligand field potential has essentially different forms inside and outside the ligand spherical shell, of which the radius is R . In point charge model, the exponent n will be less than 5 and it will be reduced when the radius R decreases. For the bond length in (MnF 6) 4- cluster ( R =0.207 nm～0.214 nm), the theoretical value n=4.488 is in good agreement with the experimental finding n=4.45.

关 键 词：(MnF6)^4-团簇 光谱参量 R^-n律 金属-配体间键长 配位场 络合分子 配位球壳势模型 过滤金属离子 

分 类 号：O561.3[理学—原子与分子物理] O641.4[理学—物理]