Structural, physicochemical characterization, theoretical studies of carboxamides and their Cu(II), Zn(II) complexes having antibacterial activities against E. coli

The frontier molecular orbitals (HOMOs and LUMOs) of carboxamides (L1 and L2) were evaluated by DFT/B3LYP method with 6-311G(d,p) basis set in Gaussian 09 software.