Synthesis and Crystal Structure of the Heteropolymate Compound Na3H2[Ce3(H2O)18Bi2W22O76]·23H2O

A Bi(Ⅲ) contained heteropolymate compound Na3H2[Ce3(H2O)18Bi2W22O76] (23H2O 1 has been synthesized. It crystallizes in the triclinic system, space group P with a = 14.370(3), b = 17.113(3), c = 24.764(5) A, α = 74.33(3), β = 77.20(3), γ = 65.29(3)o, V = 5285.3(18) A3, Z = 2, Mr = 6908.66, Dc = 4.341 g/cm3, F(000) = 6042, μ(MoKσ) = 28.543 mm-1, R = 0.0604 and wR = 0.1659 for 15788 reflections with I > 2σ(I). The structure analysis revealed that in the anionic framework of the title compound the [Bi2W22O76]14- anions are connected by Ce3+ and Na+ cations into a three dimensional network.     

一种新颖有机／无机杂化配位聚合物[（C7H18N）（Ag2l3）]n的合成、结构及量子化学计算

A one dimensional coordination polymer, [(C7H18N)(Ag2l3)]n((C7H18N)^ =Methyltriethylammonium) has been successfully synthesized and characterized by X-ray single-crystal diffraction method. Structure analysis shows that the compound consists of organic cations(Methyltriethylammonium) and inorganic anion chains (Ag2l3)s^-.The inorganic moiety consists of AgI4 tetrahedron, which shares the same edges with adjacent AgI4 tetrahedrons to form one-dimensional infinite double chains along a-axis. There exists weak interaction among Ag…Ag atoms in the crystal. Anion chains are surrounded by Methyhriethylammonium cations. Anion chains and cations are in combination with each other by static attracting forces in the crystal to form so-called organic-inorganic hybrid structure. According to the crystal structure data, quantum chemistry calculation with DFT on B3LYP level was used to reveal the electronic structure of title compound. CCDC: 254288.     

一种新颖有机-无机杂化配位聚合物[(C10H16N)2（Pb2I6）·2DMF·H2O]n的自组装合成和晶体结构(英)

A novel coordination polymer [(C₁₀H₁₆N)₂（Pb₂I₆）·2DMF·H₂O]_n (C₁₀H₁₆N=N-butyl-2-Methy-Pyridinium) was synthesized by the reaction of Pb(NO₃)₂ with C₆H₁₀NI at room temperature in DMF solvent and structurally characterized by means of X-ray single diffraction. The title compound crystallizes in triclinic system, space group P1 with a=1.1237(2) nm, b=1.25330(16) nm, c=0.808 00(12) nm, α=102.523(4)°, β=92.475(5)°, γ=95.712(10)°, V=1.102 9(3) nm³, Z=1, D_c=2.470 Mg·m^-3, F(000)=738, chemical formula C₂₆H₄₈N₄O₃Pb₂I₆ and M_r=1 640.46, μ（MoKα）=11.849 mm^-1, the final R=0.057 8 and wR=0.166 5 for 3716 observed reflections with I > 2σ(I). The title compound consists of cations ([(C₁₀H₁₆N)⁺] and anion chain(PbI₃^-),they are combined by static attracting forces in the crystal. DMF and H₂O locate between the organic and inorganic moiety. CCDC: 210812.     

一种新颖一维铅碘聚合物[(Pb_2I_5)(L-H~ )·2DMF]_n(L=Piperazine)的自组装合成和晶体结构(英文)

0IntroductionIncreasinginterestisfocusedonthestudyofmagnetic,electronicandoptoelectronicpropertiesoflow鄄dimensionalorganic鄄inorganichybridcompoun鄄ds[1~3].Studiesshowthatcomplexconsistingoforganicandinorganiccomponentshavegreatpotentialforthecreationoff…     

一种新颖有机-无机杂化配位聚合物[(C_(10)H_(16)N)_2(Pb_2I_6)·2DMF·H_2O]_n的自组装合成和晶体结构

0IntroductionConstructionoflow鄄dimensionalorganic鄄inorgan鄄icsupramoleculararrayswithnovelpropertiesrepre鄄sentsnewdirectionsinsolid鄄statechemistry[1,2].Gener鄄allythephysicalpropertiesofsuchlowdimensionalcompoundsdifferfromthoseoftheparentcompound.Our     

Mn5(PO3(OH))2(PO4)2(H2O)4的水热合成和光谱研究

在水热反应条件下合成出具有红磷锰矿结构的Mn5(PO3(OH) ) 2 (PO4 ) 2 (H2 O) 4单晶 ,在X ray单晶结构分析的基础上 ,对其固体紫外可见漫反射光谱、红外光谱、荧光光谱和热重光谱进行了研究。结果表明 ,构成该化合物的PO4 四面体及MnO6 八面体通过共顶点或共棱方式相连接 ,与P ,Mn配位的氧分为 3类 :即端基氧 (Od)、二桥氧 (Ob)和三桥氧 (Oc)。因而在 2 10和 2 5 0nm左右出现了Od→Mn和Ob ,c→Mn的荷移跃迁吸收谱带 ;在 10 0 0～ 110 0cm- 1 处 ,P—O的伸缩振动峰分裂为 3个 ;70 0～ 980cm- 1 处存在 3类Mn—O的伸缩振动。对标题化合物分别采用 2 18和 310nm的光激发 ,分别在 35 4和 4 13nm产生强而尖锐的荧光光谱发射峰 ,表现了很强的光学效应。热重分析表明该化合物在 2 70℃以下结构保持稳定 ,在 2 70～36 0℃范围内失去配位水。量化计算得单点能为 - 4 5 5 8 6 5 95 5 5 1a u ;前线轨道能量HOMO(Alpha) =- 0 2 80 80a u ,LOMO(Alpha) =0 0 15 2 7a u ,能隙为 0 2 96 0 7a u ;HOMO(Beta) =- 0 2 5 919a u ,LOMO(Beta)=0 0 0 10 8a u ,能隙为 0 2 6 0 72a u ;偶极矩为 4 2 0 82Debye。     

二维双层蜂窝状锌配合物的合成、晶体结构及性质研究

利用水热反应合成了一种新的二维双层蜂窝状锌配合物{[Zn2(atz)3(N3)].H2O}n(1)(atz=5-氨基四氮唑),并用元素分析,红外光谱和X-射线单晶衍射对其结构进行了表征,该配合物属单斜晶系,C2/m空间群,晶胞参数为:a=1.0397(2)nm,b=1.7927(4)nm,c=1.109 2(2)nm,V=1.887 0(7)nm3,Z=4。该锌配合物是由N3-和原位合成的5-氨基四氮唑阴离子构成,拓扑分析表明该化合物显示出独特的4-连接六边形的蜂窝双层结构。同时还测定了该化合物的热稳定性及荧光性质。     

K_(4.5)Na_4(H_3O)_(3.5)[Ce(SiW_(11)O_(39))_2]·23H_2O的合成和晶体结构

合成了标题化合物K4.5Na4(H_3O)3.5 [Ce(SiW11O39)2]·23H_2O,用单晶X-ray 衍射方法测定了它的结构,该晶体属三斜晶系,空间群P,a=16.531(4) ,b=23.193(4),c=12.764 (2)?,α= 99.740(6),β = 91.90(1), γ = 94.84(1)°,V = 4801(2) ?3,Mr = 6180.91, Z=2,Dc = 4.276 g·cm－3,μ(MoKα)= 27.06 mm－1, F(000)= 5359, R = 0.0781 ,wR = 0.1838,I >2((I) 的可观察衍射点11936个。该分子是由2个α-SiW11O39结构单元通过1个铈离子联结起来,铈离子八配位,形成了1个畸变的十二面体结构,Ce-O键长2.39(2)～2.45(3) ?。在杂多化合物中,硅氧四面体的氧原子存在μ4-Oc和μ3-Oc的2种配位状态。     

结构化学课程特色建设的实践和思考

以建设精品课程为目标,创建特色课程为重点。探讨结构化学课程课堂教学与科学研究相结合的教学模式,总结实践经验,提出课程教学改革的一些思考。     

具有Keggin结构的多元杂多化合物的合成与光谱研究Ⅱ

本文合成了一些具有Keggin结构的Si-V-Mo-W四元杂多阴离子[SiVxMoyW12-x-6O40]^(4 x)-的化合物（其中，x=1,2和3），并对其进行了红外光谱研究，可看到化合物的M＝Od，M－Ob-M和M－Oc－M的红外伸缩振动峰随着V原子数目的增加而红移；而钨原子数目的增加一般使之蓝移，因此推测出杂多化合物的酸性随着V数目的增加而减, 应性能则相反。这种变化规律与[PVxMoyW12-x-yo40]^(3 x)-相似。另外，可看到P系列的多元杂多酸（或杂多化合物）的配性大于相应的Si系列的酸性。