Effect of gamma irradiation on spectral, XRD, SEM, DNA binding, molecular modling and antibacterial property of some (Z)[sbnd]N-(furan-2-yl)methylene)-2-(phenylamino)acetohydrazide metal(II) complexes

Abstract

A series of Ru(II), Pd(II),VO(II) and Hg(II) complexes with (Z)N-(furan-2-yl)methylene)-2-(phenylamino)acetohydrazide (HL) has been synthesized. Investigation of synthesized metal complexes was achieved by using elemental analyses, magnetic moment, molar conductance, FT-IR, 1H-NMR, UV–Vis., spectroscopy and thermal techniques. The effect of gamma irradiation on powder samples of [Ru(L)Cl]2·EtOH (B1), [Pd(L)Cl(H2O)]·H2O (B2), [(VO)(HL)SO4]·H2O (B3) and [Hg(HL)I(H2O)2] (B4) complexes was also investigated (hereafter referred to as (A1), (A2), (A3) and (A4), respectively). Spectral, thermal, powder X-ray diffraction patterns (XRD) and surface morphological studies were performed before and after irradiation. Irradiation causes changes in spectral features. XRD studies revealed the decrease in the crystalline size of sample (B2) from 43.3 nm to 30.6 nm upon irradiation and irradiation induced the crystallinity of the complexes. Surface morphology of [Pd(L)Cl(H2O)]·H2O (B2) before and after irradiation has been studied. Fluorescence studies revealed the possibility of the Pd(II) complex (B2) to form a binding mode with Heparin. In molecular modeling the possible structures of the ligand and its metal complexes were fully optimized with respect to the energy using the Hyper Chem. 8.03 molecular modeling program. Furthermore, the energies of highest occupied molecular orbital (EHOMO), energies of lowest unoccupied molecular orbital (ELUMO), energy gap (ΔE = ELUMO−EHOMO), the absolute electronegativity, χ, the chemical potential, Pi, the absolute hardness, η and the softness (σ) were obtained for the ligand and its complexes (B3), (B4). The antibacterial studies of the prepared compounds before and after gamma irradiation screened against both gram positive and gram negative bacteria proved that these compounds exhibit remarkable antibacterial activity and the irradiation improved the bioactivity for most complexes.