The first examples of lanthanide selenite-carboxylate compounds: syntheses, crystal structures and properties

[Ln(8)(SeO(3))(4)(2,6-pdc)(8)(H(2)O)(10)].2H(2)O (Ln = La (1), Nd (2), Eu (3); 2,6-pdcH(2) = pyridine-2,6-dicarboxylic acid) represent the first examples of luminescent lanthanide selenite-carboxylate compounds. The compounds have been hydrothermally synthesized and structurally characterized. The structures feature two-dimensional (2D) host frameworks composed of Ln(8)(SeO(3))(4)(2,6-pdc)(8)(H(2)O)(10) clusters connected to each other via inter-cluster Ln(2)O(2) rhombic units along the b-axis and 12-membered Ln(4)O(2)(COO)(2) rings along the c-axis. Inter-layer H-bonding interactions between coordinated water molecules and carboxylate groups lead to three-dimensional architectures. Thermogravimetric analysis (TGA) indicated that the 2D networks were thermostable up to approximately 450 degrees C after losing both coordinated and lattice water molecules and underwent reversible process of dehydration and rehydration. Study on photoluminescent properties revealed that compounds 1, 2 and 3 were new rare-earth materials with violet, near-infrared, and red luminescence, respectively.     

Structural Modulation of Two Luminescent Bismuth-organic Frameworks by the Mixed-ligand Synthetic Strategy

Hydrothermal reactions of Bi_2O_3 with pyridine-2,6-dicarboxylic acid(2,6-H_2pdc) and trimesic acid(H3btc)/pyromellitic acid(H4pyr) lead to two bismuth-organic frameworks, namely, [Bi(2,6-pdc)(H_2btc)(H_2O)2]n(1) and [Bi_2(2,6-pdc)2(H2pyr)(H_2O)_2]n(2). Compound 1 crystallizes in the space group P2_1/c. The dimeric {Bi_2} units are linked by 2,6-pdc2-ligands to form 1D chains; Compound 2 exhibits a 2D layered structure with 44 network topology by using dimeric {Bi_2} as secondary building units(SBUs). The chains and layers in 1 and 2 are further arranged into 3D supramolecular structures via hydrogen bonding interactions. The compounds emit blue luminescence. Furthermore, the PXRD, TGA, UV-visible and IR spectra were also studied. Compounds 1, 2 represent good examples of using mixed-ligand approach to construct diversity of luminescent bismuth-organic frameworks.     

Bismuth 2,6-pyridinedicarboxylates: assembly of molecular units into coordination polymers, CO2 sorption and photoluminescence

Six inorganic-organic bismuth 2,6-pyridinedicarboxylate (pdc) compounds, [Bi(2,6-pdc)(3)]·3(dma), 1, [Bi(2,6-pdc)(3)]·3(dma)·2(H(2)O), 2, [Bi(2,6-pdc)(2)(dmf)]·(dma), 3, Bi(2,6-pdc)(2,6-pdcme)(MeOH), 4, [LiBi(2,6-pdc)(3)(H(2)O)]·2(dma), 5, and Li(5)Bi(2,6-pdc)(4)(H(2)O)(2), 6 (where dma = dimethyl ammonium cation, dmf = dimethylformamide and 2,6-pdcme = 6-methyl-oxycarbonyl pyridine 2-carboxylate) have been synthesized under solvothermal conditions and their structures determined by single crystal X-ray diffraction. Compounds 1-4 have molecular structures whereas compounds 5 and 6 form one- and three-dimensional frameworks, respectively. Compounds 1 and 2, both having similar monomeric bismuth coordination units, which are connected non-covalently into a (4,4)-connected square lattice by H-bonding interactions through dma cations. Compounds 3 and 4, both have a similar dimeric bismuth coordination unit. In 3, the dimers are connected into a one-dimensional chain by H-bonding interactions through dma cations. In the partially esterified and neutral 4, there was no such H-bonding interactions due to the absence of any dma cations. Compounds 5 and 6 have a similar monomeric bismuth coordination unit to that seen in 1 and 2. In 5, the monomers are connected through lithium cations into one-dimensional chains, which further interact non-covalently by H-bonding interactions through dma cations. In the lithium-rich 6, the monomers are connected by the lithium cations and 2,6-pdc anions into a three dimensional structure with intramolecular H-bonding interactions involving the water molecules. The non-porous 5 and 6 exhibit a reasonable amount of H(2) and CO(2) sorptions, respectively. Tb(3+)- and Eu(3+)-doped and co-doped 4 and 5 emit characteristic sensitized green/red/yellow-orange luminescence.     

Synthesis,Structure, and Magnetic Properties of a New Selenite Compound CdNi(SeO_3)_2(H_2O)_2

A new selenite compound CdNi(SeO_3)_2(H_2O)_2 has been obtained by a conventional hydrothermal method. This compound crystallizes in monoclinic system of space group C2/c, which exhibits a layer structure built by NiO_6 octahedra and SeO_3 trigonal pyramids running along the a-axis. The layers show a unique eight-rings hole network. The compound is stable at room temperature while the loss of H_2O molecules happens with heating above 523 K. Magnetic measurements indicate that CdNi(SeO_3)_2(H_2O)_2 is an antiferromagnet and possesses an antiferromagnetic ordering at T_N = 15 K.     

Structures that should be Described in Higher-Symmetry, Centrosymmetric Space Groups. Part 2. The Structures of [Ni(C_5H_4NO-2-CH=N-CH_2CH_2-N=CH-2-C_5H_4NO)(H_2O)_2]- (ClO_4)_2, {Ni[C_5H_4NO-2-CH=N-CH(CH_3)CH_2-N=CH-2- C_5H_4NO](H_2O)_2}

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Two Novel 2D Lanthanide-organic Frameworks Based on Different Carboxylate-containing Mixed Ligands

Two novel lanthanide-organic polymers [Er2(pdc)2(o-bdc)(H2O)2]·H2O(1,H2pdc = 2,6-pyridinedicarboxylic acid,o-H2bdc = 1,2-benzenedicarboxylic acid) and Er(Himdc)(mbdc)0.5(H2O)(2,H3imdc = 4,5-imidazoledicarboxylic acid,m-H2bdc = 1,3-benzenedicarboxylic acid) have been synthesized and characterized by elemental analysis,IR,thermogravimetric analysis and X-ray single-crystal diffraction studies.1 crystallizes in monoclinic,space group P21/c,while 2 in the orthorhombic space group Pbcn.Both compounds 1 and 2 display two-dimensional network structures.For 1,the tetranuclear parallelogram {Er4} cluster as a building block is further assembled into a wonderful 2D grid,and the layers are interconnected via hydrogen bonds and π-π stacking interactions to yield a 3D supramolecular architecture;for 2,its configuration is a rare double-decker structure.These two complexes represent good examples for using mix-carboxylate-containing ligands to construct diverse 2D lanthanide coordination polymers.     

四核稀土过氧根络合物吸收光谱的研究

本文介绍测定四核稀土过氧根络合物Ln_4O_4Cl_8(THF)_m(H_2O)_n(Ln=Pr、Nd,m+n=10)的紫外可见吸收光谱,归属处理光谱吸收峰。探讨了络合物在不同溶剂中的可能构型。初步结果表明,在非水溶剂中,四核稀土过氧根络合物能保持其稳定的四核核心构型Ln_4O_4Cl_4,随着体系中水含量的增加,四核络合物逐渐离解成单核络合物。文中还分析了促使四核络合物的离解因素。     

Syntheses and Structures of Two Isomorphous Metal-organic Coordination Complexes Based on 4-Pyrimidin-5-ylbenzoic Acid

The reactions of 4-pyrimidin-5-ylbenzoic acid （HL） with Co（NO3）2·6H2O and Ni（NO3）2·6H2O gave rise to two isomorphous mononuclear coordination complexes, namely, [CoL2（H2O）4] （1） and [NiL2（H2O）4] （2）. Both compounds were characterized by IR spectroscopy and single-crystal X-ray diffraction. X-ray crystallographic analyses reveal that they crystallize in monoclinic, space group P21/n. In the crystal structures of these two complexes, only one nitrogen atom of L coordinates to the metal center, and neither carboxylate group nor another nitrogen atom of L links to Co（Ⅱ） or Ni（Ⅱ）. 2D Layers with significant hydrogen bonds can be observed, and they are further linked by L to form a 3D supramolecular network. Nitrogen atoms are not involved in forming hydrogen bonds, but carboxylic groups of the ligands play an important role in the configuration of this hydrogen-bond layer.     

Two Novel Metal Coordination Polymers:Anticancer Activity in Human Angioneoplasm Cells

Two new coordination polymers, namely {[Cu(CPTD)(HCOO)](H_2O)4}n(1, HCPTD= 4?-(4-Carboxyphenyl)-2,2?:6?,2??-terpyridine) and {[Dy_3(NTB)_3(NMF)_2(H_2O)]_n(NMF)_3}n(2,H_3NTB = 4,4?,4??-nitrilotribenzoic acid, NMF = N-methylformamide) have been successfully constructed under solvothermal conditions. The structures of the two complexes have been successfully determined by single-crystal X-ray diffraction. In addition, in vitro antitumor activities of compounds 1 and 2 on three human angioneoplasm cells(MOLP-2, RPMI8226 and MM1 S)were further determined and the results show that the two compounds showed promising activity.     

Syntheses, Structures and Photoluminescence of Two New Layered Lanthanide Coordination Polymers with Thiophenedicarboxylic Acid and 1,10-Phenanthroline

Two isostructural layered coordination polymers constructed from mixed ligands, [Ln2（tdc）3（phen）2（H2O）2] （Ln = Sm 1, Eu 2, H2tdc = thiophene-2,5-dicarboxylic acid, phen = 1,10-phenanthroline）, have been hydrothermally synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction. Crystal data for 1： triclinic, space group P1 with a = 10.546（2）, b = 11.201（2）, c = 18.644（4）A, α = 106.69（3）, β = 91.27（3）, γ = 94.43（3）°, Dc = 1.909 g·cm-3, F（000） = 1180, μ = 2.992 mm^-1, Z = 2, the final R = 0.0300 and wR = 0.0656 for 6968 observed reflections with I 〉 2σ（I）. And those for 2： triclinic, space group P1^- with a = 10.557（2）, b = 11.159（2）, c = 18.588（2） A, α = 106.945（6）, β = 91.255（6）, γ = 94.359（6）°, Dc = 1.927 g·cm^-3, F（000） = 1184, μ = 3.204 mm^-1, Z = 2, the final R = 0.0221 and wR = 0.0459 for 6328 observed reflections with I 〉 2σ（I）. The title complexes show a two-dimensional （2D） square grid structure constructed from paddle-wheel-like [Ln2（CO2）4] dimers and tdc ligands. The 2D layers were further assembled into a 3D supramolecular assembly via O-H…O hydrogen bond. The photoluminescence properties of complexes 1 and 2 were investigated.     

SYNTHESIS AND CRYSTAL STRUCTURE OF COMPLEX [Cu_2(CH_3COO)_4(C_8H_(11)NO)_2] · (C_6H_(11)NO)_2 · (C_8H_(12))

<正> SYNTHESIS AND CRYSTAL STRUCTURE OF COMPLEX [Cu_2(CH_3COO)_4(C_8H_(11)NO)_2] · (C_6H_(11)NO)_2 · (C_8H_(12)), where C6H11 = caprolactam, Mr = 900. 07, triclinic,space group P1, a = 11. 103(4), b= 11. 865(6), c=9. 912(3)(?), α=94. 85(4), β=115.20(2), γ=103. 25(4)°, V = 1125(2)(?)3, Z = l, Dx = 1. 33g. cm-3, λ(MoKa) = 0. 71069(?), T = 295K , μ = 10. 45cm-1, F(000) = 478, final R=0. 063 for 2098 observed reflections with I>3σ (I). The two Cu atoms in the molecule are held together by four carboxylate groups. Each Cu atom is bound in a square-pyramidal configuration to four carboxyl oxygen atoms and to the O atom of a caprolactam molecule.     

Synthesis and Structure of a Hydrogen-bonding Assembled Three-dimensional Supramolecular Indium（Ⅲ） Compound Involving One-dimensional Helices

The title compound [In（H2ip）（pdc）（H2O）] （H3ip = 5-hydroxyisophthalic acid, H2Pdc = pyridine-2,6-dicarboxylic acid） has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/c with a = 13.830（8）, b = 6.488（4）, c = 17.632（10）A^°, β = 92.510（10）°, C15H10InNO10, Mr= 479.06, V = 1580.6（15）A^°3, Z = 4, De= 2.013 g/cm^3, F（000） = 944,μ = 1.557 mm^-1, the final R = 0.0413 and wR = 0.0793 for 2950 observed reflections with I 〉 2σ（I）. The In（Ⅲ） ion is seven-coordinated in a slightly distorted penta-bipyramidal geometry. The mixed ligands connect the In（Ⅲ） ions into 21 helical chains along the [010] direction, and the hydrogen bonds assemble the chains into a three-dimensional supramolecular network.     

A Series of Mononuclear Complexes Constructed from Transition Metals and Amino Acid Derived Ligands: Syntheses, Structures and Photoluminescence

Eight neutral mononuclear complexes constructed from transition metals （M = Co（Ⅱ）, Ni（Ⅱ）, Cu（Ⅱ）, Zn（Ⅱ）, Cd（Ⅱ）） and ligands N-（2-pyridylmethyl）-L-phenylalanine （L-Hpmpa） and N-（2-pyridylmethyl）-L-tyrosine （L-Hpmtyr） have been synthesized by both hydrothermal and conventional room temperature reactions. Four of them have been structurally characterized by single-crystal X-ray diffractions. They are： [Co（L-pmpa）2·2H2O] 1, [Ni（L-pmpa）2·2H2O] 2, [Cu（L-pmpa）2·2H2O] 3 and [Cu（L-pmtyr）2·2H2O] 4. Single-crystal X-ray analysis, IR and elemental analysis revealed that complexes 1, 2 and 3 are isostructural. Powder X-ray diffraction, IR and elemental analysis revealed that complexes 4, 5 （Zn[L-pmtyr]2·2H2O）, 6 （Cd[L-pmtyr]2·2H2O）, 7 （Co[L-pmtyr]2·2H2O） and 8 （Ni[L-pmtyr]2·2H2O） are isostructural. The photoluminescence properties of L-Hpmtyr ligand, compounds 5 and 6 were also investigated.     

Rare-earth Metal Dialkyl Complexes Supported by 1,3-Disubstituted Indolyl Ligand: Synthesis,Characterization and Catalytic Activity for Isoprene Polymerization

Rare-earth metal dialkyl complexes [1-Bn-3-(DippN=CH)C_8H_4N]RE(CH_2SiMe_3)_2(thf)_2(Dipp =2,6-~iPr_2C_6H_3, RE = Y(1) and Er(2)) were prepared through the cyclometalation reactions of the N-Bn-3-imino-functionalized indolyl ligand 1-Bn-3-(DippN=CH)C_8H_5N with one equivalent of rare-earth metal trialkyl precursors. The structures of compounds 1 and 2 were confirmed by X-ray crystal analyses and characterized by elemental analysis, IR, NMR spectroscopy wherein applicable. In the presence of cocatalysts, these rare-earth metal dialkyl complexes initiated isoprene polymerization with a high activity(95% conversion of 2000 equivalent of isoprene in 360 min), producing polymers with high regioselectivity(1,4-polymers up to 91%).     

通过铜(Ⅱ)、铁(Ⅲ)和铁(Ⅱ)与2,2'-联咪唑协同作用构筑的超分子及其结构的研究

在水和乙醇溶剂中,通过Cu(Ⅱ),Fe(Ⅲ)和Fe(Ⅱ)与2,2'-联咪唑协同作用,构筑了四种新的超分子配合物[Cu(H2biim)(gly)(H2O)]Cl·H2O(1),[Cu(H2biim)(C3H2O4)(H2O)]·1.5H2O(2),[Fe2(μ-O)(H2biim)4(H2O)2](NO3)4·C2H5OH(3)和[Fe(H2biim)3]SO4(4)(H2biim=2,2'-联咪唑;gly-=甘氨酸根;C3H2O24-=丙二酸根).并通过元素分析,红外光谱和X射线单晶衍射对其组成、结构和谱学性质进行研究.H2biim配体,丙二酸根和甘氨酸根三种配体都采用了双齿螯合方式与金属离子配位.配合物1～4中,通过H2biim配体的N-H键与阴离子、水分子和溶剂分子形成多种氢键,如R12(7),R22(9)和R12(4)等,以及H2biim配体之间的π-π堆积,阳离子不对称单元构筑了多维结构的超分子配合物.     

Synthesis,Structure and Electrochemical Property of a Supramolecular Compound（H2en）2[Cu（en）2（H3O）2][Mo8O28]

A supramolecular compound(H2en)2[Cu(en)2(H3O)2][Mo8O28](en=ethylenediamine) was hydrothermally prepared and confirmed by elemental analysis and TG analysis.Single-crystal X-ray analysis reveals that the crystal crystallizes in the triclinic system,space group P1 with a=9.4635(4),b=9.8645(5),c=10.9794(5),α=69.2050(10),β=72.3730(10),γ=78.4510(10)o,Mr=1559.55,V=908.24(7)3,Z=1,Dc=2.851 g/m3,F(000)=749,μ=3.350 mm-1,S=1.000,the final R=0.0217 and wR=0.0567.The compound consists of(H2en)2+,[Mo8O28]8-anion and [Cu(en)2(H3O)2]2+ cations and constructs a 3D supramolecular structure through hydrogen bonds between the nitrogen atoms from en of [Cu(en)2(H3O)2]4+ fragments and the terminal oxygen atoms from the [Mo8O28]8-polyoxoanions.The electrochemical behavior of this compound has been studied in detail based on a solid bulk modified carbon paste electrode of compound(CPE).     

二维网状结构双核配合物[Ca_2(C_(10)H_8N_2O_4)_2(DMSO)_2(H_2O)_4]·2DMSO的合成、热分解及晶体结构

以2-羰基丙酸水杨酰腙(C_(10)H_(10)N_2O_4)作为配体与碳酸钙在水中反应， 在DMF(N,N'-二甲基甲酰胺)和DMSO（二甲基亚砚）的混合溶剂中培养了单晶，其组 成为 [Ca_2(C_(10)H_8N_2O_4)_2(DMSO)_2(H_2O)_4]·2DMSO [C_(10)H_8N_2O~2- _4为2-羰基丙酸水杨酰腙负离子]。测字了单晶的结构，该单晶为黄色，属单斜晶 系，空间群为P2(1)/C，晶胞参数a=1.0634(3)nm, b=1.7035(5)nm, c=1.2183(3) nm, β=106.180(5)°, V=2.1192(10)nm!, Dc=1.412Mg·m~(-3), Z=2, F(000) =944, μ=0.534m~(-1)，GOF=0.867。所测单晶是以2-卷曲在丙酸水杨酰腙羧基上 的一个氧原子作为桥联的双核钙（II）配合物，两个Ca~(2+)均处于五角双锥的七 配位环境中，锥底为配体2-羰基丙酸水杨酰腙中的三个配位原子，以及另一2-羰基 丙酸水杨酰腙羧基上的桥联氧原子和一个水分子的配位氧原子，锥顶为一配位水和 一想位的DMSO分子，即溶剂DMSO也参也了配位，从晶胞结构看，晶体中除配位的 DMSO分子外，还有自由的DMSO溶剂分子，它们与配位水以氢键连接存在于晶格之中 ，在空间形成的二维网状结构。通过TG-DTG还测定了配合物的热稳定性。     

GS型包合物G2PEDS·MeOH·2(H2O)和G2PEDS·naphthalene的合成与晶体结构

合成了两个由胍盐(G)和4，4’—苯醚二磺酸(PEDS)为主体框架所形成的主— 客体包合物，分别为[(CH6N3)]2[(C12H8O7S2)]·MeOH·2(H20)(1)和[(CH6N3)]2[ (C12H8O7S2)]·(C10H8)(2)．两个化合物都是以P—1空间群结晶，晶胞参数分别为 ：1a＝0．7509(4)nm，b＝1．2113(6)nm，c＝1．5936(8)nm，a＝102．636(10)° ，β＝102．703(11)°,γ＝91．318(10)°；2a＝0．75409(3)nm，b＝1．21584 (5)nm，c＝3．09376(14)nm，a＝81．506(2)°，β＝89．669(2)°，γ＝88． 890(2)°。在这两个晶体结构中，G和PEDS通过氢键形成了双夹层—双柱子的主体 框架，客体分子被包合在平行于a轴方向的晶格空间．这种双夹层—双柱子的主体 框架在由胍盐(G)和有机二磺酸(S)体系所形成的、具有通道结构的主体框架中是较 为少见的．     

Synthesis and Crystal Structure of a Novel 3D Inorganic-organic Hybrid Metallic Coordination Polymer, [Na2Cd（2,6-pyda）（N3）2（H2O）6]n

A novel coordination polymer [Na2Cd（2,6-pyda）（N3）2（H2O）6]n （2,6-H2pyda = 2,6- pyridinedicarboxylic acid） has been synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group C2/c, with a = 24.416（4）, b = 10.7638（17）, c = 6.9224（11） A^°, β= 106.124（2）A^°, V = 1747.7（5） A^°3, Mr = 515.64, De= 1.960 g/cm^3,μ = 1.365 mm^-1, F（000） = 1024, Z = 4, the final R = 0.0426 and wR = 0.1320. In the title complex, there exist two kinds of metal centers in the structure, cadmium ions and sodium ions. The Cd（Ⅱ） atom shows a distorted pentagonal-dipyramidal geometry defined by two O and one N atoms from one deprotonated pyda ligand and four N atoms from four μ-1,1,3 azido groups. The adjacent cadmium atoms are bridged via two μ-1,1,3 azido groups, along the c axis to afford an extended chain. There is also a 2D network which is comprised of binuclear subunits [NaE（H2O）6] connected by O atoms from coordinated water between the adjacent Cdn（pyda）n（Na）2n infinite chains. Furthermore, each cadmium atom is connected with four adjacent sodium atoms through the bridging N3- ligand in μ-1,3 patterns. Thus, the title complex exhibits a novel three-dimensional network structure.     

Designed Syntheses and Crystal Structures of Two Cis-cyanide Bridged Trinuclear Complexes

Two cyanide bridged trinuclear compounds [Fe（bpy）2（CN）2]·[Cu（Cyclam）]2（ClO4）4·DMF 1 and [Fe（Phen）2（CN）2]·[Cu（Cyclam）]2（ClO4）4·2CH3CN·4H2O 2 （Bpy = 2,2＇- bipyridine, Phen = 1,10-phenanthroline, Cyclam = 1,4,8,11-tetraaza-cyclotetradecane, and DMF = N,N-dimethylformamide） have been synthesized by using mononuclear [Fe（Phen）2（CN）2]·2H2O and [Fe（bpy）2（CN）2]·3H2O as precursors. These two complexes crystallize in monoclinic space groups P21/c and C2/c, respectively. For 1, a = 25.164（2）, b = 12.0405（11）, c = 20.4433（15） A, β = 91.948（3）°, V = 6190.5（9） A^3, Z = 4, Mr = 1418.90, Dc = 1.522 g/cm^3, F（000） = 2936, μ = 1.161 mm^-1, the final R = 0.0722 and wR = 0.2011 for 10779 observed reflections （I 〉 2σ（I））. For 2, a = 43.5945（0）, b = 11.8447（0）, c = 29.5637（2）A, β = 120.430（11）o, V = 13162.76（9） A^3, Z = 8, Mr = 1518.48, Dc = 1.533 g/cm^3, F（000） = 6288, μ = 1.101 mm^-1, the final R = 0.0711 and wR = 0.1783 for 11262 observed reflections （I 〉 2σ（I））.