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Comparative study of EPR spectra and crystal field effect on local structure for (NiF 6 ) 4− coordination complex in Ni 2+ :ZnF 2 , NiF 2 , and Ni 2+ :MgF 2 systems
Author(s) -
Wang SuJuan,
Kuang XiaoYu,
Duan MeiLing,
Zhang CaiXia,
Lu Cheng
Publication year - 2010
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200945261
Subject(s) - electron paramagnetic resonance , ion , spectral line , chemistry , ligand field theory , crystal structure , crystallography , field (mathematics) , resonance (particle physics) , local symmetry , symmetry (geometry) , crystal (programming language) , absorption spectroscopy , atomic physics , nuclear magnetic resonance , physics , optics , geometry , mathematics , organic chemistry , astronomy , quantum mechanics , computer science , pure mathematics , programming language
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 $\left| {{{\partial D'} \mathord{\left/ {\vphantom {{\partial D'} {\partial \theta }}} \right. \kern-\nulldelimiterspace} {\partial \theta }}} \right|$ and $\left| {{{\partial E'} \mathord{\left/ {\vphantom {{\partial E'} {\partial \theta }}} \right. \kern-\nulldelimiterspace} {\partial \theta }}} \right|$ 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.