Document Type: Regular Paper
Department of Physics, Jiangsu University of Science and Technology
Changxing Road, Zhangjiagang, 215600, P. R. China
The optical spectrum band positions and EPR parameters (g factors g//, g^ and hyperfine structure constants A// and A^) for VO2+ ions in Zn(antipyrine)2(NO3)2 are theoretically studied from the complete diagonalization (of energy matrix) method (CDM) and the perturbation theory method (PTM). In the two methods, the contributions from the spin–orbit (SO) coupling of central 3dn ion and ligand are taken into account. The theoretical results from both methods are not only consistent with the experimental values, but also close to each other. The results are discussed.