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1.
T-jump/FT-IR spectroscopy was used to study the rapid thermal decomposition activity of [Pb2(TNR)2(CHZ)2(H2O)2]·4H2O and Cd(CHZ)2(TNR)(H2O) under 0.1 MPa Ar atmosphere. The results show that the main gaseous products of [Pb2(TNR)2(CHZ)2(H2O)2]·4H2O are NH3, H2O and HONO, while CO and NO are the major gaseous products of flash pyrolysis of Cd(CHZ)2(TNR)(H2O). Thus Cd(CHZ)2(TNR)(H2O) is not an eco-friendly and chemically compatible primary explosive. Both compounds liberate volatile metal carbonate, oxide and isocyanate compounds. The combustion temperature and products of the two compounds were calculated by Real code. The results of theoretical calculation show that the combustion temperature of [Pb2(TNR)2(CHZ)2(H2O)2].4H2O is higher than that of Cd(CHZ)2(TNR)(H2O), there is no HNCO in the combus- tion products and the amount of NO is less than the experiment result from T-jump/FTIR. 相似文献
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[(phen)2Mn2(μ—O)(μ—Ac)2(H2O2)](ClO4)2·4H2O双核锰?… 总被引:11,自引:3,他引:8
MnAc3.2H2O在pH=4.0的HAc-NaAc缓冲溶液中和邻菲罗啉(phen)反应, 制得了双核锰(Ⅲ)合物[(phen)2Mn2(μ-O)(μ-Ac)2 (H2O)2](ClO4)2.H2O, 并进行了红外光谱表征. X射线单晶衍射表明, 该晶体属单斜晶系, 空间群P21/n, 晶胞参数: a=1.025 28(5) nm, b=1.792 75(9) nm, c=1.984 14(10) nm, β=94.843 0(10)°, V=3.634 0(3) nm3, Z=4, Dc=1.669 g.cm-3. 紫外可见光谱在480 nm处有一个吸收峰. 循环伏安实验说明, 此配合物在乙腈溶液中经历了一个半可逆的一电子氧化还原过程. 相似文献
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1 INTRODUCTION The design and synthesis of polynuclear com- plexes have attracted chemists?attention in the contemporary chemistry, since their clusters maybe lead to novel materials with magnetic, optical, electronic and catalytic properties of the constituent metals[1~3]. It is also prevalently interesting to synthesize high-nuclearity metal complexes for their nanoscopic dimensions[3, 4]. Spectroscopic properties of the lanthanides are widely used in the study of biological systems. … 相似文献
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A new heteropolyoxotungstate [(C2H4N2)4(P4Co3W4O28H6)(H2C2O4)]n with a three-dimensional framework was hydrothermally synthesized.The compound crystallizes in a tetragonal system,space group I41/a with a = 17.1006(17),b = 17.1006(7),c = 10.7525(5),V = 3144.2(2)3,Z = 4,Dc = 3.795 g·cm-3,F(000) = 3300,MoKα(λ = 0.71073 ),μ = 16.460 mm-1,the final R = 0.0335 and wR = 0.0776.In the heteropolyoxotungstate,tungsten-oxygen octahedra are linked by sharing two cis-vertexes into an infinite helical chain extending along the c axis.Cobalt atoms in the octahedral geometry act as the linkers of these chains,forming a three-dimensional framework.The cobalt and phosphorus atoms in the tetrahedral geometry play a role in stabilizing the three-dimensional framework.Ethylenediamine molecules are polymerized into organic chains which locate in the interspaces of the framework in the way of interwinding with the W-O chains. 相似文献
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(n—C4H9)4N2(OC14H8O2)Mo4O10(OCH3)2的合成和晶体结构 总被引:4,自引:1,他引:4
为探讨钼多酸根阴离子在有机化学反应中的催化机理,用菲醌作底物合成了(n-C4H9)4N)2(OC14H8O)2Mo4O10O10(OCH3)2)配合物,X射线单晶结构分析表明,该晶体属单斜晶系,空间群P21/c,a=1.3149(5)nm,b=1.8666(8)nm,c=1.8903(3)nm,β=104.06(3)Z=2.收集到独立衍射点3505个,其中1382个为可观测点,最终一致性因子R=0 相似文献
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LIU Shu-Qin MENG Chang-Gong WANG Hui-Long ZHANG Xiong-Fu 《结构化学》2008,27(9):1141-1143
A new copper(H) complex [Cu2(DMF)(H2O)(C7H4NO4)2(C7H3NO4)]2-3.5DMF has been synthesized and its structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1^- with a = 10.722(3), b = 18.170(4), c = 20.923(7)A,α = 105.297(9), β = 101.701(10), γ = 105.74(1)°, V= 3615(1)A^3, Z = 2, C58.50H64.50Cu4N1l.50O3150, Mr = 1686.90, Dc = 1.550 g/cm^3,μ= 1.255 mm^-1, F(000) = 1728.00, T = 150(2) K, the final R = 0.0640 and wR = 0.173 for 11310 observed reflections with I 〉 2σ(I). In the crystal, each formular unit consists of two dinuclear copper(H) compounds, between which the O-H…O hydrogen bonds exist. Each Cu^Ⅱ cation is six-coordinated in an octahedral geometry. The intermolecular hydrogenbonding interaction leads to a 3-D framework of the title compound. 相似文献
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用常规合成方法制备了基于Anderson结构阴离子的二维层状化合物[(C6n5NO2)Pr(H2O)4](CrMo6O24H6)·(C6H5NO2)·2.5H2O,通过红外光谱和X射线单晶衍射对其进行了表征.结果表明,该化合物属于单斜晶系,C2/c空间群.a=2.3442(9)nm,b=1.3291(5)nm,c=2.458(1)nm,β=103.08(1)°,V=7.460(5)nm^3,R1=0.0727,wR2=0.1903.结构分析表明,[CrMo6O24H6]^3-阴离子通过端氧担载一个配位的Pr^3+离子形成中性的(C6H5NO2)Pr(H2O)4(CrMo6O24H6)基团,相邻的中性基团在O1-Pr-O1桥联下形成一维链,链与链又通过异烟酸的桥联形成二维层状结构. 相似文献
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Synthesis and Structure of [Cu(OH)2(H2O)2(4—C5H4N—COOH)2] 总被引:1,自引:0,他引:1
1 INTRODUCTION Supramolecular chemistry and crystal engineering of coordination compounds have attracted considerable interests nowadays owing to the fascinating structural diversity and potential applications as functional materials[1,2]. Generally, architectures of supramolecules are formed through hydrogen bonds, ?- ?stacking interaction or other weak interactions between the molecules. Recently, many supramolecular compounds containing silver(I) and copper(II) species have been re-… 相似文献
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NG Seik Weng 《结构化学》2005,24(1):121
The space group of [(H2O)(C3H4N2)(O2CCH=CHCO2Zn)]n, which was originally described in the acentric Pc space group (Liu et al., Chin. J. Struct. Chem 2004, 23, 160~163),is re-described in the centric P21/c space group. 相似文献
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采用溶剂热技术合成了一种新型手性配位聚合物[Zn2(C7H8O6)2(bipy)2(H2O)2]·4H2O(C7H8O6=2,3-氧-异丙叉基-L-酒石酸根,bipy=4,4′-联吡啶),并通过单晶X射线衍射结构分析、元素分析、热重分析以及红外光谱进行了表征.结构分析数据表明,该化合物属单斜晶系,C2空间群,晶胞参数a=2.02334(14)nm,b=1.13896(4)nm,c=1.01094(6)nm,β=117.366(3)°,V=2.0689(2)nm^3.两个晶体学独立的Zn原子均为八面体构型,其中Zn1原子赤道配位点被2个酒石酸根中的4个羧酸根氧螯合配位,2个酒石酸根中剩下的4个羧酸根氧中的2个分别与2个Zn2原子连接形成无限一维链,Zn2原子的另外2个反式赤道配位点被2个水分子氧占据,同时这两种Zn原子的轴向配位点均被4,4′-联吡啶的氮原子占据,形成具有矩形格子[0.51165(3)nm×1.13896(5)nm]的二维层状结构,游离的2个水分子通过氢键作用形成二聚体,并与酒石酸根中未与Zn配位的羧酸氧连接,把二维层状结构连接成三维网状的超分子结构. 相似文献
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苯四甲酸桥连的镍配合物[Ni(btec)(H2O)4][Ni(imi)2(H2O)4]·2H2O的合成及结构 总被引:3,自引:0,他引:3
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新型氨基酸—钨砷多金属氧酸盐K6[Cu(Ala)2·(H2O2)2]2[Cu4(H2O)2(AsW9O34)2]·16H2O 总被引:3,自引:0,他引:3
The novel amino-acid-containing polyoxometalate K6[Cu(Ala)2(H2O)2]2[Cu4(H2O)2\5(AsW9O34)2]*16H2O was synthesized from the rea ction of K10[Cu4(H2O)2(AsW9O34)2]*20H2O with β-alanine. Its structure has been determined by single crystal X-ray diffraction. It crystallizes in the triclinic space group P1, with a=1.196 3(2) nm, b=1.536 5(3) nm, c=1.591 4(3) nm, α=93.97(3)°, β=110.88(3)°, γ=101.07(3)°, V=2.651 8(9) nm3 and Z=1. Least-squares refinement of the structure leads to R and Rw factors of 0.067 3 and 0.162 8, respectively. An unusual structural feature of the compound is that the polyanion [Cu4(H2O)2(AsW9O34)2]10- is linked with the amino-acid complex of Cu2+ by a μ-oxygen atom. 相似文献
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ZHANG Xiao-Feng HUAND De-Guang CHEN Feng CHEN Chang-Neng LIU Qiu-Tian② 《结构化学》2003,22(5):525-528
1 INTRODUCTION Water oxidation to oxygen gas by photo- synthetic apparatus of green plants and cyano- bacteria is the origin of this gas in the atmosphere. The water oxidation center is a tetranuclear, oxide- bridged manganese cluster with O,N-based peri- pheral ligation by amino acid side-chain group[1, 2]. The binding of aqua to the Mn site may be impor- tant to the oxidation of aqua for producing dioxygen. 1,10-Phenanthroline has been adopted to simulate coordination sphere of manga… 相似文献
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The novel mixed-ligand neutral compound [Mo3O4(C2O4)2bipy-(H2O)3]·EtOH·2H2O(bipy = 2,2′-bipyridine) has been prepared by the reaction of oxalic acid elution of Mo(IV) and bipy, and characterized by single-crystal X-ray diffraction analysis and IR. The crystal is of triclinic, space groups P1^- with a = 9.5520(2), b = 10.3730(1), c = 13.5722(2)A, a = 74.940(12),β = 80.772(14),γ= 69.898(11)°, V = 1215.73(11)A^3, Z = 2, C16H24Mo3N2O18, Mr = 820.19, Dc = 2.241 g/cm^3,μ = 1.616 mm^-1, F(000) = 808, T = 293(2) K, the final R = 0.0424 and wR = 0.0939 for 4119 observed reflections with I 〉 2σ(I). The trinuclear unit is coordinated by mixed ligands of oxalate and bipy. The intermolecular hydrogen bonding interactions among adjacent [Mo3O4(C2O4)2·bipy(H2O)3] extend the compound into a three-dimensional supramolecular framework. The uncoordinated water molecules and ethal molecules act as space-fillers and consolidate the whole architecture through hydrogen bonding interactions. 相似文献
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CRYSTAL STRUCTURE OF [Ni((C6H11O)2PS2).(C4H9NH2)3]—(C6H11O)2PS2 总被引:5,自引:1,他引:5