摘要：
One binuclear sodium(I) complex [Na2(2-benzoylbenzoato)_4(Phen)_2(H_2O)_2]·H_2O has been synthesized with 2-benzoylbenzoic acid and 1,10-henanthroline as ligands. The crystal structure was determined by X-ray diffraction. The crystal belongs to the triclinic system with space group P1, a = 1.08096(8), b = 1.09619(8), c = 1.09740(8) nm, α = 79.0600(1), β = 71.0450(1), γ = 62.0540(1)o, V = 1.08533(1) nm~3, D_c = 1.421 g/cm~3, Z = 2, F(000) = 484, GOOF = 1.036, the final R = 0.0363 and wR = 0.0961. The crystal structure shows that two neighboring sodium(I) ions are linked together by two bridging water molecules, and each end position is coordinated with one 1,10-phenanthroline molecule and one 2-benzoylbenzoato to form a binuclear structure. Each sodium(I) ion in the molecule is coordinated with five atoms to give a distorted trigonal bipyramid. The fluorescence property of the title complex is also discussed.
作者机构：
[Kuang Yun-Fei; Yang Ying-Qun; Zhang Shao-Hua] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.;[Yang Ying-Qun] Hengyang Xicheng Organ Chem Plant, Hengyang 421008, Hunan, Peoples R China.
通讯机构：
[Zhang Shao-Hua] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.
关键词：
manganese(Ⅱ) complex;2,2'-bipyridine-3,3'-dicarboxylic acid;crystal structure;magnetic;fluorescence and electrochemical properties
摘要：
A new Mn(II) complex [Mn(H2O)(L)(Phen)2].(H2O)3 (1) with 2,2′-bipyridine-3,3′-dicarboxylic acid (H2L) and 1, 10-Phenanthroline (Phen) as ligands has been synthesized. Crystal data for 1 are as follows: monoclinic, space group P21/c. In 1, the central Mn(II) ion is located in a distorted octahedral coordination environment. The magnetic, fluorescence and electrochemical properties of 1 are studied. The results show that 1 has weak antiferromagnetic property at low temperatures, and when the exciting radiation is set at 656 nm, 1 can give off one broad emission band at around 682 nm. The electron transfer is quasi reversible in the electrode reaction, corresponding to Mn(III)/Mn(II). CCDC: 874919.
摘要：
A new complex [Zn3L6(2, 2′-bipy)2] with 2, 4-dichlorophenoxy acetic acid (HL) and 2, 2′ -bipyridine as the ligands has been synthesized. The crystal data for this complex are as follows: triclinic, space group P1̄, a= 1.073 85(6) nm, b=1.329 58(7) nm, c=1.515 80(10) nm, α=66.961 0(10)°, β=69.387 0(10)°, γ=72.992 0(10)°, V= 1.833 77(19) nm3, Dc=1.656 g · cm-3, Z=1, μ(Mo Kα)=1.483 mm-1, F(000)=920, final discrepancy factors R1=0.030 6, wR2=0.075 7. The crystal structure shows that the title complex forms trinuclear structure by bridging 2, 4- dichlorophenoxy acetic acid anions. Zn(II) ion in middle position is coordinated with six oxygen atoms, giving a six-coordinated distorted octahedral geometry. Compared with Zn (II) ion in middle position, Zn (II) ion in end position is located in a five-coordinated distorted trigonal bipyramid environment. The magnetic, luminescence and electrochemical properties of the title complex are also studied. The results show that the title complex is a diamagnetism system in temperatures range of 28~300 K, and when the exciting radiation set at 664 nm, the title complex can give off one broad emission band at around 660 nm. The electron transfer is quasi reversible in the electrode reaction, corresponding to Zn(II)/Zn(0).
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(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：
The novel complex [Cu2(μ-OH)(Mba)(Phen)2]·(ClO4)2 has been hydrothermally synthesized by Hmba and Phen with copper(II), where Hmba=methoxybenzoic acid and Phen=1,10-phenanthroline. The crystal structure of the complex has been determined by X-ray diffraction. The crystal belong to monoclinic system, space group P21/n The cell parameters are: a=1.149 6(2)nm, b = 1,623 9(3) nm, c = 1.740 4(4) nm, β=106.52(3)°, V=3.115 1(1) nm3, Z=4, μ(Mo K(α)=16.14 cm-1, F (000)=1 728, R1=0.0296, wR2=0.075 7 (I>2σ(I)). The two centric copper(II) ions are four-coordinated in the distorted planar tetragon arrangement for the complex. A hydroxidion and a methoxybenzoic acid act as the bridge to link two Cu(II) ions. Each asymmetric unit is connetcted by weak interaction to form a helix chian. Three-dimensional network is formed through the π-π packing between aromatic rings. The luminescent and electrochemical property of the novel complex has been stuied. CCDC: 749064.
