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.

► In situ amino acid Schiff base ligand synthesis during Cu(II) complex preparation. ► Weak CO⋯π interactions govern crystal structure. ► N′-(2-furfurylidene)glycine would exist in the zwitterionic form in solid-state. ► Presence of chiral center can be crucial to obtain Schiff base in crystalline form.