二个新颖的一维聚合物{(PyH)3[Cu3Br6]}∞和{(γ-MePyH)2[Cu2Br4]}∞的合成和晶体结构

Reactions of CuBr with equimolar PyHBr or γ-MePyHBr afforded two novel one-dimensional bromocuprate(Ⅰ)polymers {(PyH)₃[Cu₃Br₆]}_∞ (1) and {(γ-MePyH)₂[Cu₂Br₄]}_∞(2)， respectively. Both 1 and 2 were charac-terized by IR， elemental analysis， and X-ray crystallography. Crystal data for 1: monoclinic， space group P2₁/n， a=0.93262(12)nm， b=1.3497(2)nm， c=1.9149(2)nm， β=93.465(7)°， V=2.4060(5)nm³， Z=4. Crystal data for 2: orthorhombic， space group Pbcm， a=0.8659(4)nm， b=1.5669(6)nm， c=1.2849(5)nm， V=1.7432(2)nm³， Z=4. The structure of 1 has a unique helical chain composed of [Cu₃Br₅] units and μ-bromide anions while that of 2 shows a linear chain consisted of [Cu₂(μ-Br)₂] units bridged by pairs of μ-Br atoms. CCDC: 1， 208412; 2， 208413.     

二维配位聚合物[K_2(5-nbdc)_2Cd(Ⅱ)·imH·H_2O]_∞的合成和晶体结构(英文)

In recentyears,asym m etric organic ligands (suchas m 鄄pyridinecarboxylates) have been used as bi/tri鄄dentate bridges to build chiral coordination polym ersofCd髤orZn髤forexploring non鄄linearopticalm ate鄄rials[1]. In these reported coordination polym     

光致发光配合物[Au_2(PPh_3)_2(μ-4,4′-bpy)](ClO_4)_2 and [Cu_2(PPh_3)_4(CH_3CN)_2(μ-4,4′-bpy)](BF_4)_2的合成和晶体结构

合成了两个在空气中稳定的Au(Ⅰ )和Cu(Ⅰ )配合物 ,并运用元素分析、红外光谱、荧光光谱和X射线单晶衍射结构表征 ,[Au2 (PPh3 ) 2 (μ 4 ,4′ bpy) ](ClO4 ) 2 (1) (4 ,4′ bpy为 4,4′ 联吡啶 ) ,单斜晶系 ,空间群P2 1c,晶胞参数a=1.2 2 5 5 (4 )nm ,b=0 .9973(3)nm ,c=1.85 0 6 (6 )nm ,β =10 1.732 (5 )°,V =2 .2 145 (11)nm3 ,Z =4,最终偏离因子R =0 .0 430 ,wR =0 .0 937.[Cu2 (PPh3 ) 4(CH3 CN) 2 (μ 4 ,4′ bpy) ](BF4 ) 2 (2 ) ,单斜晶系 ,空间群P2 1c,晶胞参数a =1.34 6 3(3)nm ,b =1.46 81(3)nm ,c =2 .0 6 0 8(4 )nm ,β =10 0 .387(4 )° ,V =4.0 0 6 6 (13)nm3 ,Z =2 ,最终偏离因子R =0 .0 45 0 ,wR =0 .116 3.两个双核配合物都是利用 4,4′ 联吡啶桥联配体 ,形成直线结构 ,直线的两端以PPh3 或CH3 CN为端基 .Au(Ⅰ )为 2配位 ,Cu(Ⅰ )为 4配位 .两个配合物均具有光致发光特性 ,其中配合物 1发光来自MLCT激发态 ,而配合物 2则是受配位金属影响的配体内部发光 .     

阶梯状配位聚合物[Cu(μ_3-I)INH]_n的合成、晶体结构及其热稳定性研究

The complex [Cu( μ3-I)INH]n has been synthesized in DMF solution with INH, CuI, where INH=isoniazid. The crystal structure of the complex has been determined by X-ray diffraction single crystal structure analysis. The crystal belong to monoclinic system, space group P21/c. The cell parameters are: a=1.009 48(10) nm, b=0.467 51(5) nm, c=1.992 62(19) nm, β=101.413 0(10)°, and V= 0.921 81(16) nm3, Z=4, μ(Mo Kα)=5.674 mm-1, F(000)=616.0, R1=0.031 6, wR2=0.082 5 [I2σ(I)]. The copper(Ⅰ) atom locates in a distorted coordination tetrahedron. The copper(Ⅰ) atoms bridged by μ3-I to form a band stair-like chain, and INH occupying the remaining coordination site of the approximately tetrahedral. The stair-like chains extend along b axis. The results of TG analysis show the title complex was stable under 200℃.     

Cu_2I_2(PPh_3)_3·DMF的合成和晶体结构

Ｃｕ２Ｉ２（ＰＰｈ３）３·ＤＭＦ（Ｐｈ＝Ｃ６Ｈ５,ＤＭＦ＝ＨＣＯＮ（ＣＨ３）２）是通过Ｗ２Ｓ４〔Ｓ２ＣＮ－（ＣＨ２ＣＨ２ＯＨ）２〕２,ＰＰｈ３和ＣｕＩ在ＣＨ２Ｃｌ２和ＤＭＦ为溶剂,在室温条件下合成的晶体产物。其空间群为Ｐ２１／ｃ,晶胞参数：Ｃ５７Ｈ５２Ｃｕ２Ｉ２ＮＯＰ３,ａ＝１５．８６３（５）,ｂ＝１９．６１９（７）,ｃ＝１８．２３２（４）,β＝１０９．５３（２）°,Ｖ＝５３４８（３）３,Ｚ＝４,Ｍｒ＝１２４０．８７,Ｄｃ＝１．５４ｇ／ｃｍ３,μ（Ｍｏ－Ｋα）＝２０．６６ｃｍ－１,Ｆ（０００）＝２４７２,对于Ｉ＞３σ（Ｉ）的５９５４个衍射点,最终的Ｒ＝０．０４６,Ｒｗ＝０．０６９。晶体结构由二核铜化合物和溶剂ＤＭＦ组成,两个Ｃｕ原子呈现不对称配位结构,ＤＭＦ在三配位Ｃｕ原子的近邻,它的氧原子和配位ＰＰｈ３的碳原子最近距离在３．３２（２）－３．４４（２）,ＤＭＦ参与晶体中对二核铜分子的结构和分子的堆积有明显的影响     

铜(Ⅰ)配位聚合物[Cu_3Hpt_3]_n的水热合成、晶体结构及荧光光谱

<正>0引言由金属离子和有机配体自组装构筑得到的金属-有机配合物,特别是以d~(10)金属为中心形成的配合物,由于在发光材料方面有着巨大的潜在应用前景,而成为众多化学工作者研究的热点领域。     

二维配位聚合物[Cu(μ-I)(μ-4,4-bipy)]_n的溶液合成与晶体结构(英文)

碘化亚铜和4,4′-二联吡啶在溶液中反应的二种方法可制备出标题化合物的2个不同红色晶体,结构表征出两种晶体分别是单斜C2/c(1)和四方I41/acd(2)空间群。在[Cu(μ-I)(μ-4,4-bipy)]n结构中,铜原子是处于与2个碘原子和2个相互扭曲4,4′-二联吡啶中的氮原子的扭曲四面体配位环境中,2个[Cu(μ-I)]2单元和2个桥式4,4′-二联吡啶配体形成1个[Cu2(μ-I)2(μ-4,4-bipy)]2直角单元,4个直角单元经4个4,4′-二联吡啶侧式桥联而形成1个大的八角环,并由此与直角单元相互垂直而形成1个二维框架结构。     

一维链状银(Ⅰ)配位聚合物的合成、表征及晶体测定

采用水热法合成了1个配位聚合物[Ag₂(L)(LH)]NO₃·1.5H₂O(1,LH=2-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthro-line),并对其进行了元素分析、红外光谱、热重表征和Ｘ射线单晶衍射测定。配位聚合物1属于单斜晶系,空间群为C2/c,晶胞参数为：a=2.733 8(6),b=1.580 7(3),c=1.736 0(4) nm,β=107.73(3)°,V=7.146(2) nm³,Z=4,293(2) K。在晶体中,2个Ag(Ⅰ)原子与来自于不同LH和L配体上的3个氮原子分别形成三配位的畸变的三角形构型。     

亚乙基硫脲配位聚合物[Cu3(etu)3 Br3]n的合成与晶体结构

CuB r2和亚乙基硫脲反应生成Cu(I)配位聚合物[Cu3(etu)3B r3]n(etu=亚乙基硫脲),单晶X射线衍射测得该晶体为三斜晶系,Pī空间群.晶胞参数:a=0.762 46(6)nm,b=1.198 48(10)nm,c=1.224 52(7)nm,α=68.202(5),°β=74.607(6),°γ=87.652(7)°,V=0.999 61(13)nm3,Z=2,Mr=736.82,Dc=2.448 g.cm-3,μ=9.477 mm-1,F(000)=708,偏差因子R1=0.030 6,wR2=0.071 0.配合物由环状[Cu(etu)B r]3单元聚合而成,形成Cu4S2B r2和Cu2S4B r2聚合体,两聚合体通过μ2-S桥键交替连接,形成平行于晶胞b轴的[Cu3(μ3-etu)(μ2-etu)2(μ2-B r)2B r]n一维链.Cu(I)均为变形四面体配位,亚乙基硫脲以S原子与Cu(I)结合,形成μ2-S和μ3-S两种配位方式.     

[VS_4Cu_6(Py)_8I_3]的合成和晶体结构

在(NH4)3VS4/CuI/Py反应体系中合成了新化合物 [VS4Cu6(Py)8I3]并测定其晶体结构。该化合物(C40H40N8Cu6I3S4V)属正交晶系, 空间群为Fdd2, 晶胞参数为: a = 29.924(6), b = 13.475(3), c = 25.853(5) , V = 10425(4) ?, Dc = 2.006 g/cm3, Mr = 1573.92, Z = 8, (MoK) = 4.546 mm-1, F(000) = 6048。结构由直接法解出, 用全矩阵最小二乘法修正, 最终偏离因子R = 0.023, wR = 0.069。簇合物分子是由6个带端基配体的Cu沿着四面体单元VS4的6条SS边配位而成, 6个Cu排列成了1个八面体, V基本位于八面体的中心, 整个分子具有C2对称性。     

阶梯状配位聚合物[Cu(μ3-I)INH]n的合成、晶体结构及其热稳定性研究

The complex [Cu(μ₃-I)INH]_n has been synthesized in DMF solution with INH, CuI, where INH=isoniazid. The crystal structure of the complex has been determined by X-ray diffraction single crystal structure analysis. The crystal belong to monoclinic system, space group P2₁/c. The cell parameters are: a=1.009 48(10) nm, b=0.467 51(5) nm, c=1.992 62(19) nm, β=101.413 0(10)°, and V= 0.921 81(16) nm³, Z=4, μ(Mo Kα)=5.674 mm^-1, F(000)=616.0, R₁=0.031 6, wR₂=0.082 5 [I>2σ(I)]. The copper(Ⅰ) atom locates in a distorted coordination tetrahedron. The copper(Ⅰ) atoms bridged by μ₃-I to form a band stair-like chain, and INH occupying the remaining coordination site of the approximately tetrahedral. The stair-like chains extend along b axis. The results of TG analysis show the title complex was stable under 200℃. CCDC: 705346.     

配位聚合物{Zn[(BTDC)_2(DMF)_2]}_4·(DMF)_4的合成及其晶体结构

2,2′-联二噻吩-5,5′-二羧酸(H2BTDC)与硝酸锌经水热合成制得新型配位聚合物{Zn[(BTDC)2(DMF)2]}4.(DMF)4(1),其结构经X-射线单晶衍射和元素分析表征。1属单斜晶系,空间群P2(1)/c,晶胞参数a=6.5913(13),b=22.813(5),c=16.315(3),V=2 450.5(9)3,Z=4,F(000)=1 112,cρalcd=1.455 g.cm-3,R1=0.040 2,wR2=0.082 4[I2σ(I)]。晶胞中每个锌原子与两个配体、两个配位的DMF溶剂分子和一个自由的DMF分子配位,共同组成zigzag一维链状结构。     

一维链状的3-羧基苯氧乙酸铜配位聚合物[Cu(3-cpoa)(phen)(H2O)]n的合成与晶体结构

A novel coordination polymer [Cu(3-cpoa)(phen)(H₂O)]_n(3-cpoa^2-=3-carboxylphenoxyacetate, phen=1,10-phenanthroline) was synthesized and characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. Crystallographic facts are as follows: monoclinic crystal system, space group P2₁/n， a=0.688 96(14) nm， b=1.652 3(3) nm， c=1.651 1(3) nm， β=95.20(3)°, V=1.871 9(6) nm³, Z=4, D_c=1.618 g·cm^-3， F(000)=932， μ=1.211 mm^-1，R=0.048 2 and wR=0.062 2. The copper atom exhibits a distorted square pyramidal coordination geometry, involving two oxygen atoms of different 3-cpoa^2- ligands, two nitrogen atoms of 1,10-phen ligand and one coordinated water molecule. The copper atoms are bridged by 3-cpoa^2- ligand, forming a one-dimensional chain along c axis. The distance of adjacent Cu…Cu is 0.916 6(4) nm. A three-dimensional network structure is constructed by the intermolecular hydrogen bond and π-stacking interactions. CCDC: 219724.     

二维配位聚合物[Cu(μ-I)(μ-4，4-bipy)]n的溶液合成与晶体结构

碘化亚铜和4，4′-二联吡啶在溶液中反应的二种方法可制备出标题化合物的2个不同红色晶体，结构表征出两种晶体分别是单斜C2/c(1)和四方I4₁/acd(2)空间群。在[Cu( μ-I)( μ-4,4-bipy)]_n结构中，铜原子是处于与2个碘原子和2个相互扭曲4,4′-二联吡啶中的氮原子的扭曲四面体配位环境中，2个[Cu( μ-I)]₂单元和2个桥式4,4′-二联吡啶配体形成1个[Cu₂( μ-I)₂( μ-4,4-bipy)]₂直角单元，4个直角单元经4个4,4′-二联吡啶侧式桥联而形成1个大的八角环，并由此与直角单元相互垂直而形成1个二维框架结构。     

一维链状2-氧-1(4H)-吡啶乙酸桥联钙配位聚合物[Ca(2-OPA)_2(H_2O)_2]_n的合成、晶体结构及热稳定性研究

由于吡啶乙酸及其衍生物具有多种的键合模式和广泛的生物学特性,近十年来由其与金属离子所形成的配合物研究已引起了人们的极大关注[1]。目前的研究多集中于过渡金属和稀土金属离子体系[2￣5],而对于主族金属离子所形成的配合物报道较少。镁钙离子在调节细胞壁的功能、控制半透     

一维链状配位聚合物[Nd(C8H7NO2)3(H2O)]n的水热合成和晶体结构

利用Nd(NO)36H2O和3-(3-吡啶基)丙烯酸在水热反应条件下反应,合成了一种新型一维链状配位聚合物[Nd(C8H7NO2)3(H2O)]n。用元素分析、IR和TGA-DTA进行了表征, 并用X-射线衍射法测定了晶体结构。结果表明,该晶体属三斜晶系,(分子式C24H23N3O7Nd),P空间群,晶胞参数为a = 6.275(2),b = 12.757(4), c = 15.714(5) 牛琣 = 111.966(5), b = 90.338(6),g = 94.960(6),V = 1161.2(7) ?,Z = 2,Dc = 1.735 g/cm3,m = 2.286 mm-1,Mr = 606.67, F(000) = 602,R = 0.0355, wR = 0.0757。通过3-(3-吡啶基)丙烯酸配体羧基氧原子桥联形成一维链状结构,同时链与链通过氢键及-相互作用形成了三维的网络结构。     

二维配位聚合物[Cu(μ-Ⅰ)(μ-4,4-bipy)]n的溶液合成与晶体结构

碘化亚铜和4,4'-二联吡啶在溶液中反应的二种方法可制备出标题化合物的2个不同红色晶体,结构表征出两种晶体分别是单斜C2/c(1)和四方I41/acd(2)空间群.在[Cu(μ-Ⅰ)(μ-4,4-bipy)]n结构中,铜原子是处于与2个碘原子和2个相互扭曲4,4'-二联吡啶中的氮原子的扭曲四面体配位环境中,2个[Cu(μ-Ⅰ)]2单元和2个桥式4,4'-二联吡啶配体形成1个[Cu2(μ-Ⅰ)2(μ-4,4-bipy)]2直角单元,4个直角单元经4个4,4'-二联吡啶侧式桥联而形成1个大的八角环,并由此与直角单元相互垂直而形成1个二维框架结构.     

异双桥二维镍(Ⅱ)配位聚合物_∞~2[Ni(μ-4,4'-bpy)_(2/2)(μ-L)_(4/2)](HL=2-indolyl-formic acid)的水热合成和晶体结构

以分子识别为基础、分子组装为手段、组装体功能为目标的超分子化学是一个正在迅速发展并充满活力的新型交叉学科。超分子化学在生命科学和信息科学、高技术结构材料和功能材料等方面具有广阔的应用前景。4,4'鄄联吡啶能够跟多种过渡金属组装成一维、二维和三维超分子,有关非线     

一维链状高价锰配合物[Mn_2(C_7H_4O_3)_4(CH_3OH)_2]·4H_2O_2CH_3OH的合成与结构

合成了一维链状高价锰配合物[Mn2(C7H4O3)4(CH3OH)2]4H2O2CH3OH,并对其进行了IR、X-射线衍射、UV-Vis和TG-DSC等表征。单晶衍射结果表明,该配合物晶体属三斜晶型,空间群P?晶胞参数a=7.653(5),b=10.486(7),c=12.943(8),=103.24(1),?=104.55(1),?=110.11(1),V=885.4(9)3,Z=1。UV-Vis光谱在547nm有一个吸收峰,相应于Mn(Ⅳ)的d-d电子跃迁光谱。     

一维链状配位聚合物[Ag(bix)(NO3)(H2O)]n的合成和晶体结构

A one-dimensional (1D) Z conformation coordination polymer, [Ag(bix)(NO₃)(H₂O)]_n was obtained by the reaction between AgNO₃ and flexible ligand of 1,4-bis(imidazol-1-ylmethyl)-benzene under hydrothermal conditions. It crystallizes in triclinic with space group P1. The crystallographic data of the compound are: a=0.777 1(2) nm, b=1.043 4(3) nm, c=1.082 7(3) nm, α=71.403(4)°, β=80.946(5)°, γ=88.794(4)°. The 1D chainlike structure was connected by π-π interaction between phenyl rings, leading to a 2D layered network. The lattice water and the NO₃^- anions were involved between the layers, therefore the 2D layered structure further extended to an intricate 3D framework. CCDC: 257100.