分类: 化学 >> 物理化学 提交时间: 2017-11-05 合作期刊: 《结构化学》
摘要: Two new complexes [Ag(bix)]n·nNAA·nH2O (1) and [Cd(NAA)(phen)2(H2O)]2·2CH3COO-·H2O (2) (bix = 1,4-bis(imidazol-1-ylmethyl)benzene, HNAA = α-naphthylacetic acid, phen = 1,10-phenanthroline) have been successfully synthesized under hydrothermal conditions. Their structures have been determined by elemental analyses, IR spectroscopy, TG and single-crystal X-ray diffraction analysis. The intermolecular hydrogen bonding or π-π stacking interactions extend the complexes into a 3D supramolecular structure. Moreover, the luminescent properties of complex 2 have been investigated in the solid state.
分类: 化学 >> 物理化学 提交时间: 2017-11-05 合作期刊: 《结构化学》
摘要: A new metal-organic cadmium coordination polymer [Cd(pzdc)0.5(L)]n·nH2O (1, H2pzdc = pyrazine-2,3-dicarboxylic acid, HL = 3-(2-pyridyl)pyrazole) has been successfully synthesized under hydrothermal conditions. The structure has been determined by single-crystal X-ray diffraction analysis, elemental analyses, IR and fluorescence spectrum. Brown crystals crystallize in the orthorhombic system, space group Fdd2 with a = 11.2636(9), b = 38.296(3), c = 10.5795(8) Å, V = 4563.5(6) Å3, C11H9CdN4O3, Mr = 357.62, Dc = 2.082 g/cm3, μ(MoKα) = 1.924 mm-1, F(000) = 2800, Z = 16, the final R = 0.0169 and wR = 0.0443 for 2106 observed reflections (I > 2s(I)). It shows a two-dimensional network structure and extends into a three-dimensional supramolecular framework through π-π stacking interactions. Moreover, we analyzed Natural Bond Orbital (NBO) by using the PBE0/LANL2DZ method built in Gaussian 03 Program. The calculation results showed obvious covalent interaction between the coordinated atoms and Cd(II) ion.