Electron spin resonance (ESR) spectroscopy of the transition-metal complexes and clusters I.: Systematic investigations of real- and complex-orbital methods for calculating the d-orbital energies of a low-spin(S=1/2) nd5(t25, 2T2)(n=3,4,5) system (II) mathematical relation between real- and complex-orbital methods of calculating the d-orbital energies for a low-spin nd5(t25, 2T2)(n=3,4,5) system

被引:0
|
作者
Zhao, K [1 ]
机构
[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, Fujian 350002, Peoples R China
关键词
ESR; transition-metal complexes and clusters; low-spin d(5) systems;
D O I
暂无
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
On the basis of the first paper's theoretical derivations and concrete-instance calculations of the energies of the d orbitals for a low-spin (S=1/2)nd(5)(t(2)(5) T-2(2)) (n=3, 4, 5) system, the major results reported in this paper contain the following two respects: explicit relationships between the coefficients of the real and complex Kramers doublets have been derived by using two types of the expressions of the principal components of the g tensors in real- and complex-orbital representations obtained in the first paper; the use of these relationships of the real- and complex-orbital coefficients has carried out a series of mathematical demonstrations on the agreement of the real- and complex-orbital methods.
引用
收藏
页码:136 / 140
页数:5
相关论文
共 3 条