Synthesis, crystal structure, fluorescence properties, and theoretical studies of a dinuclear Ni(II) complex derived from a quinoline-containing half-salamo-type ligand.

A quinoline-containing semi-salamo-type ligand, HL, was synthesized and a dinuclear Ni(II) complex, [Ni2(L)2(NCS)2], was produced. The complex was experimentally analyzed by elemental analysis, fluorescence, and UV–Vis spectroscopy. X-ray single crystal diffraction experiments showed that the complex is a six-coordinate, structurally symmetric, phenoxy-bridged dinuclear Ni(II) dimer with the participation of SCN− in the coordination to satisfy charge neutrality. The self-assembly forms a 2-D supramolecular network structure through hydrogen bonding and π⋯π interactions. DFT calculations were performed on the complex to analyze its energy gaps, and UV–Vis experiment was verified by TD-DFT calculation. In addition, close intermolecular contacts were investigated by Hirshfeld surface analysis to quantify the crystal structure interaction. [ABSTRACT FROM AUTHOR]