Structure of Coordination Polymer, 〔Zn(bipy)(H_2O)_3SO_4〕·2H_2O (bipy=4,4'-bipyridine)

1　INTRODUCTION4,4' bipyridine( bipy) is a good candidate for building open framework struc ture because of their rodlike rigidity and length.Framework structures formed bytransition metalsbridged by bipy vary with metaland anion.The structures of Zn bipy system include interpenetrating square grid sheets〔 Zn( bipy) 2 ( H2 O) 2 〕Si F6〔1〕,two dimensionallayer〔 Zn( bipy) ( H2 O) 4 〕( NO3) 2 · bipy〔2〕,〔 Zn( bipy) ( H2 O) 4 〕 ( NO3) 2 · 2 bipy· 3 H2 O〔2〕 and〔 Zn( bipy)…     

Synthesis and Crystal Structure of Zinc Complex [Zn（bipy）3][Zn（SCN）4]

1 INTRODUCTION The design and synthesis of metal-organic frame-work structure have been studied widely during thepast decade not only because of their intriguing ar-chitectures but also their unexpected properties forpotential practical applications in a wide number offields, such as asymmetric catalysis, magnetism, pho-toluminescence and so on[1～3]. These novel struc-tures can be rapidly and efficiently synthesized fromsimple subunits, where the metal ions, bi- or multi-dentate organic l…     

含类立方烷银(Ⅰ)簇的光致蓝光配位聚合物的原位溶剂热合成

A blue photoluminescent coordination polymer [Ag₄Cl₄(dppe)₂]_n has been prepared solvothermally and characterized structurally. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of tetragonal, space group I4₁/a, a=b=1.936 03(6) nm, c=1.465 63(8) nm, V=5.493 5(4) nm³, Z=4, D_calcd=1.657 Mg·m^-3, μ=1.749 mm^-1. Reflections collected: 17 147, independent reflections: 3 247, R_int=0.021 1. Final R indices [I> 2σ(I)]: R₁=0.044 8, wR₂=0.111 0. The structure of [Ag₄Cl₄(dppe)₂]_n is a 3D-diamond highly symmetrical polymeric network containing Ag₄Cl₄ cubane-like clusters connected by 1,2-bis(diphenylphosphino)ethane (dppe). Each Ag₄Cl₄ cluster is composed of four silver and four chlorine atoms situated at alternate vertexes of a highly distorted cube with each silver atom being further coordinated to one phosphorus atom from a dppe ligand. The stripping of chloride ions from CHCl₃ provides the source for chlorine in the formation of Ag(Ⅰ) clusters. In addition, the emission spectrum of the complex 1 in solid state has been studied. CCDC: 288080.     

A Three-dimensional Network Topology in 〔Mn(N_3)_2(4,4'-bipy)〕_n,Generated by Self-assembly of ‘Helical-shaped’ Building Block

１ＩＮＴＲＯＤＵＣＴＩＯＮＣｏｎｔｒｏｌｉｎｇｔｈｅａｓｅｍｂｌｙｏｆｍｏｌｅｃｕｌｅｓｉｎｔｈｅｓｏｌｉｄｉｓａｓｔｉｍｕｌａｔｉｎｇｓｃｉｅｎｔｉｆｉｃｃｈａｌｅｎｇｅｉｎｔｈｅｓｙｎｔｈｅｓｉｓｏｆｆｕｎｃｔｉｏｎａｌｍａｔｅｒｉａｌｓ，ｓｕｃ...     

Synthesis and molecular structure of the complex YbI(bipy)(DME)2

The reaction of the naphthalene complex of ytterbium, [Yb(DME)₂]₂(μ-C₁₀H₈), with 2,2′-bipyridine in 1,2-dimethoxyethane afforded the Yb^II complex containing the 2,2′-bipyridine radical anion. The resulting complex YbI(bipy)(DME)₂ was characterized by IR and ESR spectroscopy, X-ray diffraction analysis, and magnetochemistry. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2341–2344, November, 1998.     

Synthesis and Photoluminescence of a Novel Iridium Complex （BuPhOXD）2Ir（acac） with Unit of 1, 3, 4-Oxadiazole

A novel cyclometalated iridium complex with 1, 3, 4-oxadiazole moiety was synthesized and characterized. Its UV and photoluminescent properties were studied. The strong UV absorption intensity around 462 nm attributed to spin-forbidden triplet metal-ligand charge transfer band and photoluminescence at 518 nm were observed. This indicated that achieved iridium complex could be used as an efficient electrophosphorescent material.     

铟颗粒上具有不同直径氧化铟纳米锥的原位合成与光致发光特性

以Au作催化剂, 通过金属铟与氧气在850～1000 ℃的氧化反应, 在单质铟表面原位大面积生长出了In2O3纳米锥. 通过反应温度的改变实现了纳米锥的可控合成. 采用激光拉曼光谱、X射线衍射、扫描电镜和透射电镜对产物进行了表征分析. 结果表明, 纳米锥为立方相单晶结构的In2O3, 其直径和高度分别在0.1～0.6 μm和0.2～2.9 μm范围内可调控. 提出了In2O3纳米锥可能的生长机理. 在室温下研究了它们的发光性质, 发现了发光峰位于416和439 nm强的蓝光发光, 这一蓝光发光起源于氧化铟纳米锥中氧空位中的电子与铟-氧空位中心中的空穴之间的复合.     

Crystal structure determination of complexes of monomethylammonium chloride and mercury(II) chloride: CH3NH3HgCl3, (CH3NH3)2HgCl4, and CH3NH3Hg2Cl5

The crystal structures have been determined of CH₃NH₃HgCl₃, (CH₃NH₃)₂HgCl₄, and CH₃NH₃Hg₂Cl₅. In (CH₃NH₃)₂HgCl₄ the Hg^II atom is tetrahedrally coordinated by four Cl atoms with Hg? Cl bond lengths of 2.464 to 2.478 Å. In the other two compounds the Hg^II atom is involved in two short covalent Hg? Cl bonds, forming a pseudo HgCl₂ molecule and two much longer bridging Hg? Cl bonds. The methylammonium groups are connected by hydrogen bonds to the chlorine atoms. The nature of the hydrogen bonding scheme probably causes disorder of the methylammonium groups.     

配合物[Mn(bipy)3](ClO4)2的晶体结构和热分析研究

The complex [Mn(bipy)₃]·(ClO₄)₂ was synthesied and characterized by X-ray diffraction. X-ray diffraction result for the single crystal showed that the crystal belongs to triclinic, space group P1, a=0.8123(2),b=1.1024(2), c=1.8646(4)nm,α=102.30(3)°,β=91.00(3)°,γ=99.69(3)°,V=1.6056(6)nm³,Z=2,D_c=1.494g·cm^-3. The thermal decomposition of [Mn(bipy)₃](ClO₄)₂ occurred in a three steps pattern. The reaction mechanism of the first step decomposition was deduced as n(1-α)[-ln(1-α)](n-1)/n with the activation energy of 130kJ·mol^-1.     

新颖无限三股螺旋钴配位聚合物{[Co(4,4′-bipyridine)(4,4′-azobispyridine)2(NCS)2]·H2O}n的合成、结构和性质的研究

The novel complex {[Co(bipy)(azpy)₂(NCS)₂]·H₂O}_n (where bipy=4,4′-bipyridine, azpy=4,4′-azobisp- yridine) has been synthesized and characterized by elemental analyses, IR, UV, thermal analyses, and vari-able-temperature magnetic susceptibility. The crystal (C₃₂H₂₆CoN₁₂OS₂, M_r=717.70) belongs to the orthorhombic, space group Pnna, a=2.21312(16)nm, b=1.40403(10)nm, c=1.14237(8)nm, V=3.5497(4)nm³, Z=4, D_c=1.343g·cm^-3, μ=0.645mm^-1, F(000)=1476, and final R₁=0.0691, wR₂=0.1129 for 231 parameters and 1674 observed reflections [I >2.00σ(I)]. The Co(Ⅱ) atom is, in a distorted octahedral geometry, coordi-nated by six nitrogen atoms from two bridging bipy, two monodentate azpy, and two thiocyanate groups. The bridging ligand bipy links Co(Ⅱ) atoms to form the infinite “rod＂ with terminal coordination azpy ligand acting as sidearms. Unprecedented three parallel interpenetrating two-dimensional (4,4) networks and novel infinite triple helices are formed via hydrogen-bonding interactions. CCDC: 155588.     

Synthesis,Crystal Structure and Photoluminescence of Ethyl Coumarin-3-carboxylate Derivatives

The ethyl coumarin-3-carboxylate(1) and its two derivatives,ethyl 7-methoxy-2-oxo-2H-chromene-3-carboxylate(2) and ethyl 7-(3-methylbut-2-enyloxy)-2-oxo-2H-chromene-3-carboxylate(3),were synthesized,characterized and their UV-vis spectra and photoluminescence were investigated.Compound 2 crystallizes in the monoclinic system with space group C2/c,a = 25.884(4),b = 6.8365(11),c = 13.816(2) ,β = 104.876(2)°,V = 2362.9(7) 3,Z = 8,Dc = 1.396 g/cm3,Mr = 248.23,F(000) = 1040 and μ = 0.108 mm–1.Compound 3 crystallizes in the monoclinic system with space group P21/c,a = 15.685(6),b = 8.373(3),c = 13.063(5) ,β = 111.862(6)°,V = 1592.2(10) 3,Z = 4,Dc = 1.261 g/cm3,Mr = 302.31,F(000) = 640 and μ = 0.093 mm–1.Both the absorption and emission of the two derivatives were stronger than that of ethyl coumarin-3-carboxylate due to the larger conjugation of their electron donor group moiety at the 7-position.Under ultraviolet light excitation,the two derivatives exhibit strong blue-violet emission.     

Synthesis and Crystal Structure of Bis-(2,2'''' bipyridyl)-2-pyrimidinethiolate-Ni(Ⅱ) Complex

1 INTRODUCTION The design of metal complexes of bipyridine is one of the most highlighting topics in molecular materials with specific optical, electronic and mag- netic properties. What studied and well-documented most widely are those of the d6 metal polypyridines, and so are the d8 and d10 metal complexes with rich luminescence behaviour[1] very recently, which can be beneficial to the design of unique functional ma- terials. Currently our interest is to design lumine- scent heteronuc…     

Spectrophotometric determination of the stability constants of HgCl(-)3 and HgCl(2-)4 in aqueous ethanol

The stability constants of HgCl(-)(3) and HgCl(2-)(4) in 60% aqueous ethanol (v/v) were determined by spectroscopy at 25 degrees and constant ionic strength and acidity; beta(1) was 3 +/- 1 and beta(2) 9 +/-3.     

配合物Zn(TC-TTF)0.5(bipy)2(CH3OH)的合成与结构表征

在有机导体和超导体领域,四硫富瓦烯(TTF)及其衍生物受到研究者广泛的关注[1,2].由于TTF电荷转移金属配合物具有特殊的结构和性质,它们不仅可以作为分子导体的构成部分,而且可以作为非线性光学材料、传感器、液晶材料以及薄膜材料的构筑模块,在材料化学等诸多领域显示出广阔的应用前景[3～5].     

RE[CH2（CH2）4CONC4H9]3（NO3）3（RE=La,Dy）的合成和晶体结构

采用Ｘ－射线四园衍射仪测定了Ｄｙ「Ｃｈ２（ＣＨ２）４ＣＯＮＣ４Ｈ９」３（ＮＯ３）３和Ｌａ「ＣＨ２（ＣＨ２）４ＣＯＮＣ４Ｈ３」３（ＮＯ３）３的晶体结构。两个配合物具有相似的结构，均属单斜晶系，空间群为Ｐ２１／ｃ。晶体参数：Ｄｙ「Ｌａ」：ａ＝１．８５６４（３）「１．８５６４（２）」ｎｍ，ｂ＝０．９７６９（２）「０．９８３４（１）」ｎｍ，ｃ＝２．１８６３（６）「２．２００３８（７）」ｎｍ，β＝９６．０８     

Raman spectroscopic study of (CH3NH3)2HgCl4 in the high-temperature range

A Raman spectroscopic study of (CH₃NH₃)₂HgCl₄ is reported in the temperature range 299–373 K. Discontinuities in the HgCl symmetric stretching mode and in the frequency shift of the CN stretching mode indicate a new phase above 330 K. A non-linear increment of the widths of these bands confirms the transition. Arrhenius behaviour of the CN stretching mode indicates a barrier of 1234 cm⁻¹.     

[In2(HPO3)4]·(NH3CH2CH2NH3)的水热合成与晶体结构

用乙二胺作模板剂在水热条件下合成出一个新的三维开放骨架结构的亚磷酸铟[In2(HPO3)4]·(NH3CH2CH2NH3)(1), 并对其晶体结构进行了测定和表征.     

Synthesis,Structure Characterization and Photoluminescence of a Novel Complex with（6,4,4）-Network [Ce_2（2,5-pydc）_3（H_2O）_2]（2,5-pydc = Pyridine-2,5-dicarboxylic Acid）

A new three-dimensional supramolecular [Ce2(2,5-pydc)3(H2O)2](1) has been hydrothermally synthesized at 180 ℃ and characterized by single-crystal X-ray diffraction.X-ray crystal analyses reveal that the compound belongs to the monoclinic system,space group P21/c,C21H13Ce2N3O14,a = 6.561(1),b = 17.986(5),c = 9.411(3) ,β = 95.558(5)° and Z = 2.In the structure of 1,each Ce(1) center is surrounded by 2,5-pydc ligands,forming the 6-connected node,and the 2,5-pydc ligand coordinates to the Ce(Ⅲ) in two different coordination modes.In mode 1,the four oxygen atoms of two carboxyl groups connect neighboring Ce(Ⅲ) ions,giving 4-connected(4-c) second building unit(SBU-1).Furthermore,the structure is extended into a 2-D layer from SBU-1 by sharing Ce(1) atoms.In mode 2,the ligand coordinates to the Ce(Ⅲ) ion from the adjacent chain with the 4-connected(4-c) second building unit(SBU-2),generating a 1-D ladder from SBU-2 by sharing Ce(1) atoms.Finally,the structure is extended into a 6,4,4-c network.Its photoluminescence property was also investigated.     

Hydro(solvo)thermal Construction of a Copper Coordination Polymer Involving in Situ Ligand Synthesis: Preparation and Structure of [Cu_3(bdcO)_2(H_2O)_2]_n

1 INTRODUCTION Increasing attention has been paid to the coppercoordination polymer frameworks not only due totheir intriguing structure diversity but also theirpotential applications in the areas of molecular ad-sorption, catalysis, electromagnetism and photo-chemistry[1～4]. Incorporation of both organic and in-organic components in these compounds has createda new direction in searching for functional materialswith desired structures and properties. Over the lastdecades, the majority o…     

(NH3CH2CHNH2CH3)2[WVIO2(OC6H4O)2]的合成、晶体结构及其与ATP相互作用的NMR性质研究

在室温下, 选用具有手性特征的1,2-丙二胺(1,2-propanediamine)为对阳离子, 由正四丁基铵十钨酸盐和邻苯二酚反应, 得到了钨酶活性结构因子仿生配合物(NH3CH2CHNH2CH3)2[WVIO2(OC6H4O)2], 用单晶X射线衍射测定了其晶体结构, 晶体属单斜晶系, 空间群为P21/n, a＝1.1099(3) nm, b＝1.0416(3) nm, c＝1.8874(6) nm, β＝96.492(6)°, V＝2.1679(11) nm3, z＝4, R1＝0.0445, wR2＝0.0682; 并对它进行了IR, 1H NMR和UV-Vis谱学表征. 利用NMR研究了其与三磷酸腺苷(ATP)的相互作用, 结果发现手性特征的1,2-丙二胺及邻苯二酚苯环的1H化学位移在与ATP混合前后均呈现出较大的差异, 分析得出: 配合物中的金属离子在D2O中大多数均以W(V)价态存在, 但在与ATP共存时转化为W(VI), 并与配体发生了解离.