Theoretical explanation for Raman and ESR spectra of V3+ ions in salt guanidinium vanadium sulfate hexahydrate |
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| Authors: | Wen-Lin Feng |
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| Affiliation: | 1. Department of Applied Physics , Chongqing University of Technology , Chongqing 400054 , China;2. Chongqing Key Laboratory of Time Grating Sensing &3. Advanced Testing Technology , Chongqing 400054 , China;4. International Centre for Materials Physics , Chinese Academy of Sciences , Shenyang 110016 , China wenlinfeng@126.com |
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| Abstract: | 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 V3+ 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 V3+ in GVSH is removed. |
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| Keywords: | crystal-field theory Raman spectra ESR (C(NH2)3V(SO4)2?·6H2O V3+ |
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