Comparative study of EPR spectra and crystal field effect on local structure for (NiF6)4−coordination complex in Ni2+:ZnF2, NiF2, and Ni2+:MgF2systems
| Autor: | Cai-Xia Zhang, Xiao-Yu Kuang, Su-Juan Wang, Cheng Lu, Mei-Ling Duan |
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| Rok vydání: | 2010 |
| Předmět: |
chemistry.chemical_classification
Ligand field theory Absorption spectroscopy Condensed Matter Physics Spectral line Electronic Optical and Magnetic Materials law.invention Ion Coordination complex Crystal Crystallography Nuclear magnetic resonance chemistry law Electron paramagnetic resonance Ground state |
| Zdroj: | physica status solidi (b). 247:416-421 |
| ISSN: | 1521-3951 0370-1972 |
| Popis: | The present work employs the complete energy matrices for a d(8) configuration ion in a D(2h) symmetry ligand field at first time to study the relationship between electron paramagnetic resonance (EPR) spectra and local structure of (NiF(6))(4-) coordination complex in Ni(2+):ZnF(2), NiF(2), and Ni(2+):MgF(2) systems, respectively. The crystal field effect on the local structure of the three systems is investigated contrastively by calculating the values of vertical bar partial derivative D'/partial derivative theta vertical bar and vertical bar partial derivative E'/partial derivative theta vertical bar around the (NiF(6))(4-) coordination complex. Moreover, the theoretical values of the g factors of Ni(2+):ZnF(2), NiF(2), and Ni(2+):MgF(2) systems are reported. Simultaneously, the calculated energy levels are in good agreement with the experimental absorption spectra. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim |
| Databáze: | OpenAIRE |
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