title: Studies on the spin Hamiltonian parameters of vitamin B12r.
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.
authors.affiliation: Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, PR China. wushaoyi@netease.com
authors.forename: Shao-Yi
authors.initials: SY
authors.lastname: Wu
authors.forename: Li-Hua
authors.initials: LH
authors.lastname: Wei
authors.forename: Zhi-Hong
authors.initials: ZH
authors.lastname: Zhang
authors.forename: Xue-Feng
authors.initials: XF
authors.lastname: Wang
mesh_terms: D004578:Electron Spin Resonance Spectroscopy; D008956:Models, Chemical; D008968:Molecular Conformation; D014805:Vitamin B 12 / Q000737:chemistry*
chemical_list: D014805:Vitamin B 12