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首页> 外文期刊>Journal of chemical crystallography >Self-assemblies of Ni(II) with phenanthroline and maleate anions: [Ni(H2O)(3)(phen)L]center dot H2O (1) and [Ni(H2O)(2)(phen)L]center dot 2H(2)O (2) with H2L = maleic acid
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Self-assemblies of Ni(II) with phenanthroline and maleate anions: [Ni(H2O)(3)(phen)L]center dot H2O (1) and [Ni(H2O)(2)(phen)L]center dot 2H(2)O (2) with H2L = maleic acid

机译：Ni（II）与菲咯啉和马来酸根阴离子的自组装：[Ni（H2O）（3）（phen）L]中心点H2O（1）和[Ni（H2O）（2）（phen）L]中心点2H （2）O（2），H2L =马来酸

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The complex [Ni(H2O)(3)(phen)(C4H2O4)] . H2O (1), which was obtained by reaction of phenanthroline, Ni(NO3)(2) . 6H(2)O, and maleic acid in CH3OH/H2O at pH = 7.05, crystallized in the monoclinic space group P2(1) (no. 4) with cell dimensions: a = 9.350(1) Angstrom, b = 7.631(1) Angstrom, c = 12.821(1) Angstrom, beta = 106.25(1), and D-calc = 1.607 g/cm(3) for Z = 2. The Ni atoms are each octahe drally coordinated by one chelating phen ligand, three H2O molecules and one monodentate maleato ligand to form [Ni(H2O)(3)(phen)(C4H2O4)] complex molecules with d(Ni-O) = 2.038-2.090 Angstrom, d(Ni-N) = 2.066, 2.089 Angstrom. The formed complex molecules are, via the intermolecular hydrogen bonds, assembled into columnar 1D chains. Interdigitation of the chelating phen ligands of the neighboring chains leads to 2D layers and the crystal H2O molecules are hydrogen bonded to the oxygen atoms of the maleate not coordinated to the Ni atom. However, reaction of NiCO3, phen, and maleic acid in CH3OH/H2O at pH = 6.33 afforded [Ni(H2O)(2)(phen)(C4H2O4)] . 2H(2)O (2), which crystallized in the triclinic space group P (1) over bar (no. 2) with cell dimensions: a = 7.971(1) Angstrom, b = 8.237(1) Angstrom, c = 13.304(1) Angstrom, alpha = 81.005(6)degrees, beta = 87.877(8)degrees, gamma = 78.322(8)degrees, and D-calc = 1.671 g/cm(3) for Z = 2. The Ni atoms are each octahedrally coordinated by two N atoms of one phen ligand and four O atoms of two H2O molecules and two bis-monodentate maleato ligands with d(Ni-O) = 2.041-2.120 Angstrom and d(Ni-N) = 2.095 Angstrom. The Ni atoms are bridged by the maleato ligands to generate 1D(infinity)(1) [Ni(H2O)(2)(phen)(C4H2O4)(2/2)] chains along [100]. The supramolecular assemblies of the 1D chains via pi-pi stacking inter- actions result in thick 2D layers parallel to (001), between which the noncoordinating H2O molecules are sandwiched. The paramagnetic [Ni(H2O)(2)(phen)(C4H2O4)(2)/2] . 2H(2)O (2) obeys the Curie-Weiss law chi(m)(T-theta) = 1.139cm(3) . mol(-)1 . K with the Weiss constant theta = -0.95 K. [References: 15]
机译：络合物[Ni（H2O）（3）（phen）（C4H2O4）]。 H2O（1），是通过菲咯啉与Ni（NO3）（2）反应获得的。 6H（2）O和马来酸在pH = 7.05的CH3OH / H2O中结晶，在单斜空间群P2（1）（编号4）中结晶，单元尺寸：a = 9.350（1）埃，b = 7.631（1） ）c，c = 12.821（1）,, beta = 106.25（1），Z = 2时D-calc = 1.607 g / cm（3）。Ni原子每八八氢原子由一个螯合的phen配体配位，三个H2O分子和一个单齿马来酸配体形成[Ni（H2O）（3）（phen）（C4H2O4）]复杂分子，d（Ni-O）= 2.038-2.090埃，d（Ni-N）= 2.066，2.089埃。形成的络合物分子通过分子间氢键组装成圆柱状一维链。相邻链的螯合phen配位体的相互交叉导致形成2D层，并且晶体H2O分子氢键合到马来酸酯的氧原子上，而该氧原子与Ni原子不配位。但是，NiCO3，phen和马来酸在pH = 6.33的CH3OH / H2O中反应得到[Ni（H2O）（2）（phen）（C4H2O4）]。 2H（2）O（2），在三边形空间群P（1）上的晶格（编号2）上结晶，晶胞尺寸为：a = 7.971（1）埃，b = 8.237（1）埃，c = 13.304 （1）埃，对于Z = 2，α= 81.005（6）度，β= 87.877（8）度，γ= 78.322（8）度，D-calc = 1.671 g / cm（3）每个八面体由一个phen配体的两个N原子和两个H2O分子的四个O原子以及两个d（Ni-O）= 2.041-2.120埃和d（Ni-N）= 2.095埃的双单齿马来酸配体配位。镍原子由马来酸配体桥接，沿着[100]生成1D（无限）（1）[Ni（H2O）（2）（phen）（C4H2O4）（2/2）]链。一维链通过pi-pi堆积相互作用的超分子组装导致平行于（001）的2D厚层，非配位的H2O分子夹在其中。顺磁性[Ni（H2O）（2）（phen）（C4H2O4）（2）/ 2]。 2H（2）O（2）遵守居里-魏斯定律chi（m）（T​​-theta）= 1.139cm（3）。 mol（-）1。 Weiss常数theta的K = -0.95K。[参考：15]

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