Copper complex of glycine Schiff base: In situ ligand synthesis, structure, spectral, and thermal properties

The novel glycine Schiff base copper complex, [Cu(C7H6NO3)2(H2O)]·0.5H2O, has been prepared by the in situ ligand synthesis method. The compound has been characterised by solid state IR and UV–Vis spectroscopy, TGA and single crystal X-ray diffraction studies. The spin-allowed electronic transitions have been calculated with the time-dependent DFT method for an isolated complex molecule. The electronic structure calculations have been carried out for the Schiff base molecule in the gas and liquid phase at the MP2 and DFT levels of theory.