Single crystal structure of cobalt and nickel complexes constructed by imidazole ligand and their polycrystalline thin films for nonlinear optical refraction properties

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The single crystals of new cobalt and nickel complexes constructed by the imidazole ligand: hexakis(imidazole)-cobalt(II) dichloride tetrahydrate ((C18H24N12Co)Cl2•4(H2O), HICDCTH) and hexakis(imidazole)-nickel(II) acetate dihydrate ((C18H24N12Ni)(CH3COO)2•2(H2O), HINADH) have been obtained and their single crystal structure were determined by X-ray single crystal diffraction. Their polycrystalline thin films on quartz substrates were prepared using in-situ crystallization methods. The surface morphology of the polycrystalline thin films were studied by atomic force microscopy. The nonlinear optical refraction properties of the polycrystalline thin films were investigated by using closed aperture Z-scan technique with 20 picosecond pulses at wavelength 532 nm. Time-dependent density-functional theory with the basis set LanL2DZ were used in theoretically computing their maximum absorption wavelengths, frontier molecular orbitals and molecule′s second hyperpolarizability γ values.