Subjects: Chemistry >> Physical Chemistry submitted time 2017-11-05 Cooperative journals: 《结构化学》
Abstract： 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.
Subjects: Chemistry >> Physical Chemistry submitted time 2017-11-05 Cooperative journals: 《结构化学》
Abstract： A coordination polymer [Mn2(ctpt)2(aic)2]n (1, ctpt = 2-(4-chloro-phenyl)-1H-1,3,7,8- tetraaza-cyclopenta[l]phenanthrene, H2aic = 5-amino-isophthalic acid) was hydrothermally designed and synthesized. The complex was characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, and thermogravimetric analysis (TGA). Each Mn(II) atom is linked by the aic ligands with neighbor Mn(II) atoms, forming an infinite one-dimensional (1D) double-chain structure. Complex 1 crystallizes in monoclinic, space group C2/c, with a = 18.23(1), b = 17.27(1), c = 16.69(1) Å, V = 4814.0(7) Å3, C27H16ClMnN5O4, Mr = 564.84, Dc = 1.559 g/cm3, μ(MoKα) = 0.706 mm-1, F(000) = 2296, Z = 8, the final R = 0.0487 and wR = 0.1269 (I > 2σ(I)). The 1D chain structure of complex 1 is stable below 458 ℃. In addition, to elucidate the essential electronic characters of this complex, theoretical calculation analysis of 1 was performed by the PBE0/LANL2DZ method in Gaussian 03 Program.
Subjects: Chemistry >> Physical Chemistry submitted time 2017-11-05 Cooperative journals: 《结构化学》
Abstract： A new complex [Zn(4-nph)(bib)]2n·nH2O (1) has been obtained by the reaction of metal (Zn(II)), 1,4-bis(imidazol-1-yl)-butane (bib) with 4-nitrophthalic acid (4-H2nph). The crystal structure of 1 has been determined by single-crystal X-ray diffraction analysis. Compound 1 is of triclinic system, space group P with a = 10.3251, b = 12.4503, c = 16.6497 Å, α = 88.487(3), β = 72.529(3), γ = 79.991(3)°, V = 2009.8(5) Å3 and Mr = 945.47. Complex 1 shows a three-dimensional (3D) framework. Moreover, through intermolecular hydrogen bonds, compound 1 is assembled into a supramolecular structure. The thermal stability and luminescent properties of 1 are also investigated.
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