作者: Qing-Feng Yang , Hai-Wen Wei , Xiao-Yong Lai , Hong-Cun Bai , Jie-Hui Yu
DOI: 10.1016/J.ICA.2017.07.039
关键词: Density functional theory 、 Hydrogen bond 、 Supramolecular chemistry 、 Acylation 、 Crystallography 、 Photochemistry 、 Ligand 、 Quinoline 、 Infrared spectroscopy 、 Chemistry 、 Dicarboxylic acid
摘要: Abstract Through employing the in situ acylation of N 2 H 4 with 2, 3-quinoline dicarboxylic acid, three acylhydrazidate-extended coordination complexes, M(QLH)(H O) Cl (M = Mg ( 1 ) or Mn ); QLH = 2, 3-quinolinedicarboxylhydrazidate) and Mn(QLH) (H 3 ), were obtained under solvothermal conditions. The X-ray single-crystal diffraction analysis reveals that: (i) compounds feature a dinuclear structure. Via two kinds O–H⋯O O–H⋯Cl hydrogen bonds, discrete units self-assemble into 3-D supramolecular networks, which are stabilized by offset face-to-face π···π interactions; (ii) compound features mononuclear structure, self-assembles 2-D network via types N–H⋯N strong interactions strengthen 2D layers. All title characterized IR spectroscopy, elemental analysis, power TG analysis. photoluminescent properties , investigated. Compounds emitted green light maxima at 529 nm for λ ex = 364 nm), 498 nm = 366 nm), while purple 381 nm = 338 nm). Furthemore, density functional theory (DFT) calculations carried out on excited electronic states order to further investigate emission mechanism. Meanwhile, variable-temperature magnetic susceptibilities indicated that there existed weak antiferromagnetic between (II) ions.