Theoretical explanation for Raman and ESR spectra of V~(3+) ions in salt guanidinium vanadium sulfate hexahydrate

摘要

The Raman spectra and electronic spin resonance (ESR) parameters (spin-Hamiltonian parameter g factors, zero-field splitting parameter D, and hyperfine structure constant A) for the trigonal V~(3+) centers in salt guanidinium vanadium sulfate hexahydrate (GVSH) are calculated from the complete diagonalization (of energy matrix) method. The theoretical results are in agreement with the experimental findings and the trigonal crystal-field parameters are determined. The difficulty in explaining ESR parameters of V~(3+) in GVSH is removed.