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

作者：Li Tong, Yi-Fan Ding, Xun Li, Li-Li Man, Wen‐Kui Dong · 发表于：Journal of Coordination Chemistry · 年份：2023 · DOI：10.1080/00958972.2023.2263619 · 被引用次数：63 · 研究领域：Metal complexes synthesis and properties、Crystal structures of chemical compounds、Synthesis and Reactivity of Heterocycles

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.