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福建省自然科学基金(2006F3042)

作品数:3 被引量:1H指数:1
相关作者:林友淡郑仪杨娥周立新更多>>
相关机构:福建师范大学暨南大学更多>>
发文基金:福建省自然科学基金福建省教育厅资助项目更多>>
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A New 3D Supramolecular Network Formed by [Zn_3(2,6-Pyridinedicarboxylate)_3Cl_4]^(4-)and 4-Carboxypyridinium
2010年
A new compound [Zn3(C7NO4H3)3Cl4]·[C6NO2H6]4·4H2O (I) has been synthesized and structurally characterized by X-ray crystallography.It crystallizes in monoclinic,space group C2/c with a=16.9018(14),b=12.6902(10),c=25.1170(2),β=90.54°,V=5387.0(8)3,Z=4,Zn3C45H41Cl4N7O24,Mr=1401.76,Dc=1.728 g/cm3,F(000)=2840,μ(MoKa)=1.615 mm-1,the R= 0.0758 and wR=0.2060 for 3468 observed reflections (I > 2σ(I)).Analysis of single-crystal X-ray diffraction data shows that compound I displays an interesting example of 3D supramolecular networks with perfect neutral and ionic hydrogen bonding array.
杨娥康遥王小琴刘子生
关键词:三维网吡啶基单晶X射线衍射单斜晶系氢键网络
二价金属离子与咪唑活性位点相互作用的研究
2007年
用量子化学从头算方法在HF和MP2水平上运用6-311G**基组,研究二价金属离子(Mg2+、Ca2+、Zn2+)与咪唑活性位点的相互作用.结果表明:Zn2+对咪唑的几何参数影响最大;三种金属离子配合物的稳定化能依次为:Ca2+—咪唑>Mg2+—咪唑>Zn2+—咪唑,配合物的稳定性顺序为Zn2+>Mg2+>Ca2+.
杨娥周立新郑仪林友淡
关键词:从头算活性位点相互作用咪唑
Synthesis and Characterization of a Novel 3D Coordination Polymer Based on Cu(II) Cations and Mellitic Acid被引量:1
2008年
A new mellitate complex [Cu3(μ2-mellitate)(μ2-H2O)(H2O)2·H2O]n 1 has been synthesi-zed by the reaction of mellitic acid and Cu(CH3COO)2·H2O in the presence of base. Crystallogra-phic data for 1: C12H8O16Cu3, Mr = 598.80, orthorhombic, Pbcn, a = 8.4378(6), b = 10.0396(7), c = 17.6799(12) , V = 1497.70(18) 3, Z = 4, Dc = 2.656 g/cm3, μ = 4.327 mm-1, F(000) = 1180, R = 0.0431 and wR = 0.0964 for 1075 observed reflections (I > 2σ(I)). X-ray crystal structural analysis revealed that the mellitate anions behave as the bridging ligands and link eight copper atoms repeatedly to form a novel three-dimensional metal-organic coordination polymer with two different rhombic tunnels in the solid-state structure.
杨娥覃业燕曹新医林启普尹培秀姚元根
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