Title: Theoretical studies of the optical and EPR spectra for VO²⁺ in Na₃C₆H₅O₇·2H₂O single crystal
Author(s):

	Ch.-Y. Li (School of Physics and Electronic Information, Shangrao Normal University, Shangrao Jiangxi 334000, P. R. China) ,
	G.-X. Wang (Jiangxi Radio $\pounds$ TV University, Nanchang $330046$, P.R. China ) ,
	X.-M. Zheng (School of Physics and Electronic Information, Shangrao Normal University, Shangrao Jiangxi 334000, P. R. China )

On the basis of the perturbation formulas for a d¹ configuration ion in a tetragonal crystal field, the three optical absorption bands and electron paramagnetic resonance (EPR) parameters (g factors g_i and hyperfine structure constants A_i for i = || and ⊥, respectively) of VO²⁺ in Na₃C₆H₅O₇·2H₂O (TSCD) single crystals were studied using the perturbation theory method. By simulating the calculated optical and EPR spectra to the observed values, local structure parameters and negative signs of the hyperfine structure constants A_i of the octahedral (VO₆)^8- cluster in {TSCD} single crystal can be obtained.

Key words: EPR, optical spectra, {VO}²⁺, TSCD.
PACS: 76.30.Fc, 75.10.Dg, 71.70.ch

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