作者：
Li Wei*;Li Chang-Hong;Li Heng-Feng;Xu Jin-Sheng;Li Li
期刊：
Chinese Journal of Structural Chemistry,2013年32(10):1567-1571 ISSN：0254-5861
通讯作者：
Li Wei
作者机构：
[Xu Jin-Sheng; Li Wei] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.;[Li Heng-Feng; Li Wei] Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Peoples R China.;[Li Chang-Hong] Hunan Inst Technol, Dept Chem Engn, Hengyang 421002, Peoples R China.;[Li Li] Hengyang Yile New Mat Co Ltd, Hengyang 421421, Peoples R China.
通讯机构：
[Li Wei] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
摘要：
A new 1D chain copper coordination polymer [Cu-2(H2L)(2)(C10H8N2)(H2O)(2)](n)center dot 3n(H2O) with 2,3-pyridinedi carboxylic acid (H2L) and 2,2'-bipyridine (2,2'-bipy) as ligands has been synthesized in the mixed ethanol and water solvents. Crystal data for this complex are as follows: monoclinic, space group P2(1)/c, a = 7.7713(7), b = 27.478(3), c = 13.2621(13) angstrom, beta = 100.6940(10)degrees, V = 2782.8(5) angstrom(3), D-c = 1.722 g/cm(3), Z = 4, mu = 1.61 mm(-1), F(000) = 1472, the final R = 0.0363 and wR = 0.0933. In the crystal structure, the whole molecule consists of two cooper ions, two H2L, one 2,2'-bipy molecule and six water molecules. Each central copper ion is coordinated with three oxygen atoms from two H2L and one water molecule, two nitrogen atoms from one 2,2'-bipy molecule and two H2L, giving a distorted tetragonal pyramidal geometry. Thermal stability properties of the complex were investigated.
摘要：
Two new 3d-4f heterometallic coordination polymers [Mn(0.5)Ln(INAIP)(2)(H2O)(2)]center dot 2H(2)O [ Ln = Eu (1), Gd (2)] have been prepared by hydrothermal reactions of the corresponding lanthanide salt with 5-(isonicotinamido) isophthalic acid (H(2)INAIP) in the presence of MnCO3 and NaOH. Both complexes have been characterized by single crystal X-ray diffraction analyses, elemental analyses, infrared absorption spectra, and thermogravimetric analyses. The results of structural analyses show that 1 and 2 are isostructural and feature non-interpenetrated 3D coordination framework containing 2D (4,4) lanthanide-carboxylate layers. They have the same 3D structure with trinodal (3,3,4)-connected new topology net with Point (Schlafli) symbol (8(3))(4)(8(4).10(2))(8(6))(2). In addition, photoluminescence and magnetic properties were also investigated. (C) 2011 Elsevier B. V. All rights reserved.
摘要：
The novel complex [Zn_2(Mba)_3(Phen)_2EtOH)]·ClO_4 (Hmba=methoxybenzoic acid, Phen=1,10-phenanthroline, EtOH=ethanol) was synthesized by hydrothermal reactions, and its structure was determined by X-ray diffraction. The crystal belongs to the triclinic system, space group Pi with a=1.15362(1), b=1.3655(3), c=1.61451(1) nm, α=72.842(2), β=83.259(3), γ=72.083(2)°, V=2.3112(6) nm3, Z=2, μ(MoKα)=11.71 cm~(-1), F(000)=1120, R=0.0552 and wR=0.1157 (I > 2σ(I)). The two centric zinc(Ⅱ) ions in the complex locate in a distorted octahedral coordination geometry and a distorted trigonal bipyramid coordination geometry, respectively. Two bridging bidentate carboxyl groups and a μ_2-O carboxyl group from three methoxybenzoic acids act as the bridge to link two Zn(Ⅱ) ions. The asymmetric units are connected by π-π packing interactions between aromatic rings to form a three-dimensional supramolecular network. The experimental results show a good fluorescence property for the complex.
期刊：
Chinese Journal of Structural Chemistry,2012年31(8):1089-1094 ISSN：0254-5861
通讯作者：
Li Chang-Hong
作者机构：
[Li Chang-Hong] Hunan Inst Technol, Dept Mat & Chem Engn, Hengyang 421002, Peoples R China.;[Li Yu-Lin; Yang Ying-Qun; Li Wei] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
通讯机构：
[Li Chang-Hong] H;Hunan Inst Technol, Dept Mat & Chem Engn, Hengyang 421002, Peoples R China.
关键词：
trinuclear copper complex;hydrothermal synthesis;spectrum properties quantum chemical calculation
摘要：
A three-dimensional framework copper（Ⅱ） coordination polymer with copper carbonate basic and 3-（pyridin-2-yl）-1,2,4-triazole （Hpt） has been hydrothemally synthesized.The complex （2,C14 H10 CuN8 ·3H2 O） crystallizes in tetragonal,space group P4 2 /n,a=2.08581（12）,b=2.08581（12）,c=0.72331（4） nm,M r=761.73,V=3.1468（3） nm 3,Dc=1.608 g/cm 3,Z=4,F（000）=1552,GOOF=1.07,R=0.0515 and wR=0.1689.Every asymmetric unit molecular structure of the complex is composed with one copper ion,one and half water molecules and two Hpt molecules.Each copper ion is coordinated with five nitrogen atoms from four Hpt molecules,forming a distorted square pyramidal geometry.The fluorescence spectrum analysis shows that the title complex at room temperature exhibits intense photoluminescence with maximum emission at 450 nm.The quantum chemistry calculation study on the complex has been performed.The stability,some frontier molecular orbital energies and composition characteristics of some frontier molecular orbitals of the complex have been investigated.
期刊：
Chinese Journal of Structural Chemistry,2012年31(9):1373-1377 ISSN：0254-5861
通讯作者：
Li Chang-Hong
作者机构：
[Li Chang-Hong] Hunan Inst Technol, Dept Mat & Chem Engn, Hengyang 421002, Peoples R China.;[Kuang Yun-Fei; Li Yu-Lin; Li Wei] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
通讯机构：
[Li Chang-Hong] H;Hunan Inst Technol, Dept Mat & Chem Engn, Hengyang 421002, Peoples R China.
关键词：
trinuclear copper complex;hydrothermal synthesis;spectrum and electrochemical analysis
摘要：
The three-dimensional framework copper（Ⅱ） coordination polymer with basic copper carbonate and 3-（pyridin-2-yl）-1,2,4-triazole has been hydrothermally synthesized. It crystallizes in monoclinic space group P21/c, with a = 1.20860（3）, b = 1.29581（2）, c = 1.67863（3） nm, β = 116.0280（2）°, C21H12Cu3N12, Mr = 623.05, V = 2.36230（9） nm3, Dc = 1.752 g/cm3, Z = 4, F（000） = 1236, GOOF = 1.037, the final R = 0.0408 and wR = 0.1141. Every unit cell contains three copper atoms and three 3-（pyridin-2-yl）-1,2,4-triazole ligands. Every central Cu（Ⅱ） ion is coordinated by four nitrogen atoms of the 3-（pyridin-2-yl）-1,2,4-triazole ligands, forming a distorted tetrahedron. The title complex exhibits an intense photoluminescence at room temperature with the maximum emission at 392 nm. The cyclic voltametric behavior of the complex shows that the electron transfer in electrolysis reaction is irreversible.
期刊：
Chinese Journal of Structural Chemistry,2012年31(11):1681-1684 ISSN：0254-5861
通讯作者：
Zhang Shao-Hua
作者机构：
[Yang Ying-Qun; Zhang Shao-Hua; Li Wei] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.;[Yang Ying-Qun] Hengyang Xicheng Organ Chem Plant, Hengyang 421008, Peoples R China.
通讯机构：
[Zhang Shao-Hua] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
关键词：
cobalt(Ⅱ) complex;α-furacrylic acid;crystal structure;electrochemical and fluorescence properties
摘要：
A dinuclear cobalt(Ⅱ) complex [Co_2(α-furacrylato)_4(Phen)_2(H_2O)].C_2H_5OH has been synthesized with a-furacrylic acid and 1,10-phenanthroline as the ligands, and its crystal structure was determined. The crystal is of monoclinic system, space group C2/c with a = 1.07388(8), β = 2.4300(2), c = 1.86708(14) nm, β = 104.3830(10)°, V = 4.719.4(7) nm~3, D_c = 1.503 g/cm~3, Z = 2, F(000) = 2196, GOOF = 1.053, the final R= 0.0343 and wR = 0.0883. The crystal structure shows that two neighboring cobalt(Ⅱ) ions are linked by the bridging coordination of two a-furacrylic acid anions and one water molecule, and their end positions are respectively coordinated with two 1,10-phenanthroline molecules and two α-furacrylic acid anions, forming a dinuclear structure. Both cobalt(II) ions adopt hexa-coordinated distorted octahedral geometry. The electrochemical and fluorescence properties of the title complex are also discussed.
摘要：
A new 3D fourfold interpenetrated metal-organic framework, [Co(L)(2)(SO4)]center dot H2O (1), has been synthesized by the solvothermal reaction of L with CoSO4 center dot 6H(2)O (L = 1,4-bis(imidazolyl)benzene). Compound 1 crystallizes in the monoclinic space group P2(1)/n, with the cell parameters: a = 9.943(2), b = 21.7104(15), c = 13.2658(18) angstrom, ss = 97.638(3)degrees, V = 2838.2(8) angstrom(3), R-1 = 0.0566 and wR(2) = 0.1035. It represents a novel dia net, in which the cobalt atoms are alternately bridged by the imidazolyl N atoms of the ligands L into a three-dimensional network. Compound 1 displays antiferromagnetic interactions. From 2 to 300 K, chi m(-1) it obeys the Curie-Weiss law with C = 2.68 emu K mol(-1) and Theta = -2.59 K.
