Magnetostructural relationships for Ni(II) ions at octahedral sites in [NixZn1x(C2O4)(dmiz)2] Computational study of zero-field splitting and using superposition model》.pdfVIP

Polyhedron 100 (2015) 282–289 Contents lists available at ScienceDirect Polyhedron journal homepage: www.else /locate/poly Magnetostructural relationships for Ni(II) ions at octahedral sites in [Ni Zn (C O )(dmiz) ]: Computational study of zero-field splitting x 1x 2 4 2 and using superposition model Muhammed Açıkgöz a,⇑, Paweł Gnutek b, Czesław Rudowicz b,1 a Bahcesehir University, Faculty of Engineering and Natural Sciences, Besiktas, Istanbul, Turkey b Modeling in Spectroscopy Group, Institute of Physics, West Pomeranian University of Technology Szczecin, Al. Piastów 17, 70-310 Szczecin, Poland a r t i c l e i n f o a b s t r a c t Article history: Superposition model (SPM) analysis of the zero-field splitting parameters (ZFSPs), for short SPM/ZFSP, is Received 23 July 2015 utilized to investigate magnetostructural relationships in Ni(II)-based magnetic systems: the pure Ni Accepted 26 August 2015 (C O )(dmiz) and mixed Ni Zn (C O )(dmiz) derivatives, where dmiz is 1,2-dimethylimidazole. The 2 4 2 x 1x 2 4 2 Available online 1 September 2015 pure system is considered as an example of the S = 1 Heisenberg antiferromagnetic one-dimensional chain. The Haldane gap exhibited by such systems is the major motivation for their studies. SPM/ZFSP Keywords: