The substitutional occupation of vanadyl ion in diaquamalonatozinc(II)—single crystal EPR and powder optical studies

Abstract

Room temperature single crystal electron paramagnetic resonance (EPR) studies have been carried out on VO(II) doped diaquamalonatozinc(II) at X-band frequencies. The analysis of the data suggests the position of the vanadyl ion is substitutional replacing zinc ion. The spin Hamiltonian parameters gxx=1.998, gyy = 1.960, gzz=1.924 and Axx=7.40, Ayy=6.63, Azz=18.27 mT indicate that the symmetry around metal ion is no longer axial due to the substitution position of the impurity. The optical spectrum of the powder sample recorded at room temperature indicates three bands and the percentage of covalency of the metal–oxygen bond has been estimated as 22%. The admixture coefficients and bonding parameters have been calculated correlating EPR and optical data.