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

AbstractA 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.Keywords: Half-salamo type ligandNi(II) complexcrystal structurefluorescence propertytheoretical study Disclosure statementNo potential conflict of interest was reported by the authors.Additional informationFundingThis work was supported by the Science and Technology Program of Gansu Province (21YF5GA057) and the Basic Research Top Talent Training Program of Lanzhou Jiaotong University (2022JC09), two of which are gratefully acknowledged.