title: Zero field splitting parameters of Mn²⁺ in Bis (L-asparaginato) Zn (II) at interstitial orthorhombic symmetry site.
abstract: The superposition model is used to calculate the crystal field parameters (CFPs) of Mn(2+) in Bis (L-asparaginato) Zn (II). The zero field splitting parameters (ZFSPs) D and E are then investigated using perturbation theory and microscopic spin Hamiltonian (SH) theory. The calculated ZFS parameters are compared with the experimental values obtained by electron paramagnetic resonance. Both the zero field splitting parameters (ZFSPs) D and E evaluated theoretically are in good agreement with the experimental values. The results support the notion that the Mn(2+) ion occupies interstitial site in Bis (L-asparaginato) Zn (II).
authors.affiliation: EPR Laboratory, Department of Physics, University of Allahabad, Allahabad 211002, India. sangitapandey2009@gmail.com
authors.forename: Sangita
authors.initials: S
authors.lastname: Pandey
authors.forename: Ram
authors.initials: R
authors.lastname: Kripal
mesh_terms: D001216:Asparagine / Q000737:chemistry*; D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy; D008345:Manganese / Q000737:chemistry*; D008958:Models, Molecular; D015032:Zinc / Q000737:chemistry*
chemical_list: D008345:Manganese; D001216:Asparagine; D015032:Zinc