Molecular structural identification and position of Cu(II) ion in Diaqua(2,2′-bipyridine)malonatozinc(II): Spectroscopic studies

Electron paramagnetic resonance, optical, FTIR and powder XRD studies have been carried out on Cu(II) doped diaqua(2,2′-bipyridine)malonatozinc(II) complex to get information about the effect of the dopant. Angular variation of copper hyperfine lines in EPR study shows the presence of a single site with g and A values as: gxx = 2.121, gyy = 2.066, gzz = 2.424 and Axx = 2.09 mT, Ayy = 3.62 mT, Azz = 14.18 mT. The direction cosines of principle g and A values suggest that the impurity is present interstitially in the lattice and the location has been identified. Admixture coefficients and molecular orbital parameters have also been evaluated. Optical, FTIR and powder XRD techniques have been used to reconfirm the structure of the complex.