Interstitial Substitution of VO(II) in Hexaaquazinc(diaquabismalonato)zincate: A Rare Observation

Abstract

Single-crystal electron paramagnetic resonance (EPR) studies of VO(II) doped in hexaaquazinc(diaquabismalonto)zincate have been performed at room temperature. Single-crystal rotations along the three orthogonal axes show the presence of a single site in an interstitial position and the location has been identified from crystal data of the host lattice. The spin-Hamiltonian parameters calculated from EPR spectra are g xx = 1.973, g yy = 1.972, g zz = 1.930, A xx = 7.05 mT, A yy = 6.85 mT, A zz = 18.93 mT. Molecular orbital coefficients β 2 = 0.71 and e 2 = 0.62 have been calculated and reveal a moderately covalent metal–ligand bond. Optical and EPR data have been used to obtain crystal field parameters, admixture and molecular orbital coefficients.