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Studies on the spin Hamiltonian parameters of vitamin B12r.

作者信息

Wu Shao-Yi, Wei Li-Hua, Zhang Zhi-Hong, Wang Xue-Feng

机构信息

Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, PR China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2009 Jan;71(5):2023-5. doi: 10.1016/j.saa.2008.07.041. Epub 2008 Aug 3.

DOI:10.1016/j.saa.2008.07.041
PMID:18801698
Abstract

The spin Hamiltonian parameters g factors g(i) (i=x, y, z) and the hyperfine structure constants A(i) of vitamin B(12r) have been theoretically studied from the perturbation formulas of these parameters for a Co(2+)(3d(7)) ion with low spin (S=1/2) in rhombically distorted octahedra. The related crystal-field parameters are determined from the point-charge-dipole model and the local structure around Co(2+) in vitamin B(12r). The theoretical spin Hamiltonian parameters are in good agreement with the experimental data.

摘要

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