The study of the ground state Kramers doublet of low-spin heminic system revisited -: A comprehensive description of the EPR and Mossbauer spectra

被引：23

作者：

Alonso, Pablo J. ^{[1
]}

Martinez, Jesus I. ^{[1
]}

Garcia-Rubio, Ines ^{[1
]}

机构：

[1] Univ Zaragoza, CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain

来源：

COORDINATION CHEMISTRY REVIEWS | 2007年 / 251卷 / 1-2期

关键词：

electronic structure; EPR spectroscopy; heme complexes; low-spin iron(III); Mossbauer spectroscopy;

D O I：

10.1016/j.ccr.2006.05.007

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A general study of the ground state Kramers doublet of Fe-III in the low-spin configuration using the hole formalism is presented. This description allows a generalization of Taylor equations that relate g-values of iron to the wave function of the unpaired electron and the energy separation between the t(2g) orbitals. Expressions for the Fe-hyperfine tensor and valence contribution to the Fe-57 nuclear quadrupolar interaction are also obtained for the general case. The model is connected with the counter-rotation effect described in heme systems, which appears in the formulation as a particular case. A procedure to analyze data from EPR and Mossbauer spectroscopic techniques together is presented. It lets us distinguish between the two essentially different solutions derived when only EPR data are available. The model is applied to experimental results available in the literature. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：12 / 24

页数：13