[Gd(C10H9N2O4)(C10H8N2O4)(H2O)3]2·phen·4H2O的晶体结构和生物活性

在水乙醇混合溶剂中，首次得到了2-羰基丙酸水杨酰腙、1，10-菲啰啉与硝酸钆形成的配合物[Gd(C₁₀H₉N₂O₄)(C₁₀H₈N₂O₄)(H₂O)₃]₂·phen·4H₂O，并测试了其单晶结构。该配合物属三斜晶系，空间群为P-1。每个配合物分子中有两个九配位的钆的结构单元，每个钆离子与两个三齿配体2-羰基丙酸水杨酰腙（分别以负一价和负二价形式）和三个水分子配位。每个钆单元在空间呈扭曲的单帽四方反棱柱。同时还有一个游离的1，10-菲啰啉存在于晶格中，通过氢键与配位水作用。生物活性试验表明该配合物对三种病原菌有一定的抑菌活性。     

Synthesis and crystal structures of [UO2(C6H4NO2)2(C6H5NO2)] and [UO2SO4(C6H5NO2)(H2O)] · H2O

The complexes [UO₂(C₆H₄NO₂)₂(C₆H₅NO₂) (I) and [UO₂SO₄(C₆H₅NO₂)(H₂O)] · H₂O (II) were synthesized and studied by X-ray diffraction analysis. Crystals I are monoclinic: a = 7.0081(3), b = 14.9624(7), c = 9.1837(5) ?, β = 96.594(2)°, Z = 2, space group P2₁/m. Crystals II are triclinic: a = 6.8097(6), b = 9.3837(8), c = 10.4556(10) ?, α = 85.279(3), β = 75.434(3), γ = 69.180(3)°, Z = 2, space group . The main structural unit of crystal I is a mononuclear fragment, which belongs to the crystal chemical group AB ₂ ⁰¹ M¹ (A = UO ₂ ²⁺ , B⁰¹ are ions of pyridine-2-carboxylic (picolinic) acid, M¹ are molecules of picolinic acid) of the uranyl complexes. The main structural unit of crystal II is a chain, which belongs to the crystal chemical group AT³M ₂ ¹ (where T³-SO ₄ ²⁻ , M¹ are water and picolinic acid molecules) of the uranyl complexes. Picolinic acid in complexes I, II was found to have a zwitterion structure. Original Russian Text ? E.V. Grechishnikova, E.V. Peresypkina, A.V. Virovets, Yu.N. Mikhailov, L.B. Serezhkina, 2007, published in Koordinatsionnaya Khimiya, 2007, Vol. 33, No. 6, pp. 468–475.     

超分子化合物 [Eu(C10H9N2O4)(C10H8N2O4)(H2O)3]2·phen·4H2O 的热分解非等温动力学

用非等温热重法研究了Eu(III)的化合物[Eu(C₁₀H₉N₂O₄)(C₁₀H₈N₂O₄)(H2O)₃]₂·phen·4H₂O 的热分解及其动力学，并用Kissinger和Ozawa 方法计算了第一分解阶段的活化能.     

配合物[Cu2(C4H2O6)(Phen)2(H2O)]·8H2O的合成、晶体结构和抗菌活性

在pH≈10的乙醇-水溶液中以硫酸铜、酒石酸和邻菲咯啉反应合成了分子式为[Cu₂(C₄H₂O₆)(Phen)₂(H₂O)]·8H₂O的配合物单晶。用X-射线单晶衍射测定了晶体结构，并研究了配合物对大肠杆菌、金黄色葡萄球菌、枯草杆菌的抗菌活性。晶体属单斜晶系，空间群P2₁。标题化合物为双核铜配合物，2个铜原子配位数不同。Cu(1)是五配位的，具有扭曲的四方锥结构，5个配位原子分别是酒石酸的去质子的羟基氧和羧基氧、邻菲咯啉的2个氮原子及1个水分子的氧原子。Cu(2)为四配位的，配位原子分别是酒石酸的去质子的羟基氧和羧基氧和邻菲咯啉的2个氮原子。分子中Cu(1)…Cu(2)间的距离为0.354 8 nm。存在分子内邻菲咯啉-邻菲咯啉的面—面π-π相互作用，面间距为0.381 3 nm。配合物对大肠杆菌、金黄色葡萄球菌、枯草杆菌具有较强的抗菌活性。     

Synthesis, crystal structure and luminescence of a novel metal-organic polymer {Cd2(C4H2O4)2(C4H6N2)2(H2O)2 · 2H2O}n

The novel 3D coordination polymer {Cd₂(C₄H₂O₄)₂(C₄H₆N₂)₂(H₂O)₂ · 2H₂O} _n (I) has been synthesized and characterized by standard solid state methods including single-crystal X-ray crystallography. The compound crystallizes in triclinic space group P [`1]\bar 1 with a = 8.589(4), b = 10.585(3), c = 13.094(1) ?, α = 84.91(4)°, β = 79.21(0)°, γ = 83.76(4)°, V = 1159.5(1) ?³, Z = 2. The fumaric acid acts as a multimodal bridging ligand in the polymer unit. One of the fumaric acid ligands tridentately chelates to two Cd²⁺ cations in the same dinuclear unit, while the other bidentately chelates to two Cd²⁺ cations in another dinuclear unit. The two metal centers possess slightly distorted pentagonal bipyramid geometry with four Cd {(μ₄-fumarato)-(μ₂-fumarato)-bis(2-methylimidazolyl)-diaqua} units joining together to form a 28-membered ring. The whole molecule exhibits a through channel along y-axis and 2D layers in xz plane. With hydrogen bond and π-π interaction, the 2D layers construct a 3D microporous network.     

一维链状钴配位聚合物{[Co(C4H4O5)(H2O)2]·H2O}n的合成与晶体结构

One dimensional chain cobalt coordination polymer has been synthesized with malic acid and cobalt(Ⅱ) chloride anhydrous, and characterized by the element analysis, IR, TGA and single crystal X-ray diffraction structure analysis. The title complex crystallizes in monoclinic system with space group P2₁, a=0.575 61(9) nm, b=0.905 86(14) nm, c=0.841 02(13) nm, β=105.350(2)°; V=0.422 88(11) nm³, Z=2, D_c=1.924 Mg·m^-3, μ=2.044 mm^-1, F(000)=250, and final R₁=0.029 3, wR₂=0.074 2. The crystal structure shows that the cobalt ion is coordinated with four oxygen atoms from two different malate molecules and two oxygen atoms from two water molecules respectively, forming a distorted octahedral coordination geometry. Two adjacent cobalt(Ⅱ) atoms are bridged by one malate groups in bis-monodentate mode, constructing a one dimensional chain structure along b axis, with the adjacent Co…Co distance being 0.530 9 nm. Moreover, the molecules are packed in three-dimensional supramolecular network though the intermolecular hydrogen bonds. CCDC: 704441.     

Synthesis and crystal structure of (C3N5H6S)2[UO2(C2O4)2(H2O)] · C2N4H4

The formation of the thioammelinium cation in an aqueous solution in the presence of uranyl ions is demonstrated. Single crystal X-ray diffraction study of (C₃N₅H₆S)₂[UO₂(C₂O₄)₂(H₂O)] · C₂N₄H₄ was carried out and the geometric characteristics of thioammelinium were determined for the first time. The crystals are triclinc, space group , Z = 2, a = 8.5201(11) ?, b = 11.4027(14) ?, c = 14.329(2) ?, α = 103.182(5)°, β = 99.607(6)°, γ = 109.698(4)°, R = 0.0526. The main structural units in the crystal are mononuclear complex groups [UO₂(C₂O₄)₂(H₂O)]²⁻ corresponding to the crystal chemical group AB ₂ ⁰¹ M¹ (A = UO ₂ ²⁺ , B⁰¹ = C₂O ₄ ²⁻ , M¹ = H₂O) of uranyl complexes. Uranium-containing mononuclear complexes are connected into a three-dimensional framework through electrostatic interactions and hydrogen bonds involving thioammelinium ions, water molecules, and cyanoguanidine. Original Russian Text ? L.B. Serezhkina, A.V. Virovets, E.V. Peresypkina, I.V. Medrish, 2007, published in Koordinatsionnaya Khimiya, 2007, Vol. 33, No. 5, pp. 380–385.     

二维配位聚合物[Cd(C4O4)(C12N2H8)(H2O)]n的合成、晶体结构与性能研究

本文采用邻菲罗啉和方酸为配体，在水热条件下通过自组装合成了具有二维网状结构的配位聚合物[Cd(C₄O₄)(C₁₂N₂H₈)(H₂O)]_n，并应用X-光衍射技术测定了其单晶结构。结果表明：Cd原子与2个邻菲罗啉氮原子、3个方酸氧和1个水分子配位，生成了六配位扭曲八面体。方酸以少见的μ-1，2，3配位模式桥联3个中心金属离子，并进一步组装成二维网状配位聚合物。对配位聚合物的光学性能及热稳定性做了进一步的研究，实验结果表明：配位聚合物是具有良好热稳定性的强荧光材料，具有潜在的应用前景。     

稀土配合物[Pr(C3H7NO2)2(C3H4N2)(H2O)](ClO4)3的标准生成焓及热分解动力学研究

合成了高氯酸镨和咪唑(C₃H₄N₂), DL-α-丙氨酸(C₃H₇NO₂)混配配合物晶体. 经傅立叶变换红外光谱、化学分析和元素分析确定其组成为[Pr(C₃H₇NO₂)₂(C₃H₄N₂)(H₂O)](ClO₄)₃. 使用具有恒温环境的溶解-反应量热计, 以2.0 mol•L^－1 HCl为量热溶剂, 在T＝(298.150±0.001) K时测定出化学反应PrCl₃•6H₂O(s)＋2C₃H₇NO₂(s)＋C₃H₄N₂(s)＋3NaClO₄(s)＝[Pr(C₃H₇NO₂)₂(C₃H₄N₂)(H₂O)](ClO₄)₃(s)＋3NaCl(s)＋5H₂O(1)的标准摩尔反应焓为Δ_rH_m^ө＝(39.26±0.11) kJ•mol^－1. 根据盖斯定律, 计算出配合物的标准摩尔生成焓为Δ_fH_m^ө{[Pr(C₃H₇NO₂)₂(C₃H₄N₂)(H₂O)](ClO₄)₃(s), 298.150 K}＝(－2424.2±3.3) kJ•mol^－1. 采用TG-DTG技术研究了配合物在流动高纯氮气(99.99%)气氛中的非等温热分解动力学, 运用微分法(Achar-Brindley-sharp和Kissinger法)和积分法(Satava-Sestak和Coats-Redfern法)对非等温动力学数据进行分析, 求得分解反应的表观活化能E＝108.9 kJ•mol^－1, 动力学方程式为dα/dt＝2(5.90×10⁸/3)(1－α)[－ln(1－α)]^－1exp(－108.9×10³/RT).     

稀土配合物[Pr(C3H7NO2)2(C3H4N2)(H2O)](ClO4)3的标准生成焓及热分解动力学研究

合成了高氯酸镨和咪唑(C₃H₄N₂), DL-α-丙氨酸(C₃H₇NO₂)混配配合物晶体. 经傅立叶变换红外光谱、化学分析和元素分析确定其组成为[Pr(C₃H₇NO₂)₂(C₃H₄N₂)(H₂O)](ClO₄)₃. 使用具有恒温环境的溶解-反应量热计, 以2.0 mol•L^－1 HCl为量热溶剂, 在T＝(298.150±0.001) K时测定出化学反应PrCl₃•6H₂O(s)＋2C₃H₇NO₂(s)＋C₃H₄N₂(s)＋3NaClO₄(s)＝[Pr(C₃H₇NO₂)₂(C₃H₄N₂)(H₂O)](ClO₄)₃(s)＋3NaCl(s)＋5H₂O(1)的标准摩尔反应焓为Δ_rH_m^ө＝(39.26±0.11) kJ•mol^－1. 根据盖斯定律, 计算出配合物的标准摩尔生成焓为Δ_fH_m^ө{[Pr(C₃H₇NO₂)₂(C₃H₄N₂)(H₂O)](ClO₄)₃(s), 298.150 K}＝(－2424.2±3.3) kJ•mol^－1. 采用TG-DTG技术研究了配合物在流动高纯氮气(99.99%)气氛中的非等温热分解动力学, 运用微分法(Achar-Brindley-sharp和Kissinger法)和积分法(Satava-Sestak和Coats-Redfern法)对非等温动力学数据进行分析, 求得分解反应的表观活化能E＝108.9 kJ•mol^－1, 动力学方程式为dα/dt＝2(5.90×10⁸/3)(1－α)[－ln(1－α)]^－1exp(－108.9×10³/RT).