EJONS INTERNATIONAL JOURNAL ON MATHEMATICS, ENGINEERING & NATURAL SCIENCES ISSN 2602 - 4136

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Abstract


Molecular Structural Elucidation and location of Mn(II) ion in Diaquazinc(diaquabismalonato)zincate by spectroscopic studies

Single crystal EPR, optical, FT-IR and powder XRD studies of Mn(II) ion incorporated diaquazinc(diaquabismalonato)zincate were carried out at room temperature to get understanding about the dopant. Observed EPR spectrum result shows 30 lines hyperfine patterns, it indicates manganese present in the host lattice with large D value. The spin Hamiltonian parameter have been evaluated using three orthogonal crystal rotations: gxx = 1.997, gyy = 2.004, gzz = 2.008 ; Axx = 8.32, Ayy = 8.54, Azz = 9.74; Dxx = 35.4 Dyy = 7.46 Dzz = -42.85 mT. The large zero field tensor due to steric interaction of malonato bridge. The direction cosines of spin Hamiltonian parameters (g, A and D) were propose that Mn(II) ion has entered the lattice substutionally and precise direction has been establish with help of position of atoms in host lattice. The covalency of Mn(II)ligand bonds were estimated using Matumura’s plot. The observed optical band were assigned as transition from the 6A1g(S) ground state to various excited quartet levels of Mn(II) in distorted octahedral symmetry. The theoretical band positions were examined by energy expression and its good agreement with experimental values. The crystal field (Dq) and Racah inter electronic repulsion parameters were studied as well.



Keywords
EPR Spectroscopy, Manganese, Spin Hamiltonian, Zinc malonate



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