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1.
摘要 在水和甲醇混合溶液中合成了3个配合物[Zn(DNBC)2(Im)2](1), [Cu(DNBC)2(Im)(H2O)](2) [Co1.5(DNBC)4(Im)(CH3OH)(H2O)2](3) (DNBC = 3,5-二硝基苯甲酸, Im = 咪唑), 并进行了常规表征,单晶X-射线衍射测定了3个配合物的晶体结构。结果表明,配合物1采用四配位,且形成扭曲的四面体形式,通过分子间氢键及范德华力形成了三维网状的超分子框架结构。配合物2中金属铜原子采用五配位,分别与四个氧原子和一个咪唑氮原子配位,形成一个扭曲的四方锥体,而且通过羧基和硝基与金属铜连接形成一个一维Z字链的超分子链状结构。配合物3的空间群为p2(1)/n, a = 1.20876(7)nm, b = 2.63287(16)nm, c = 1.36466(9)nm, V = 4.3045(5)nm3, Z = 4, F(000) = 2166, Co…Co原子之间的距离为0.3587nm。在配合物3中,由八面体配位的Co(II)离子与μ-OH2组成的三核金属钴通过氢键与相邻的三核金属钴连接,Co(II)离子与μ-OH2形成一维Z字链,并且配合物的空腔中包含未配位的咪唑和甲醇分子。配合物3的磁学性质测试表明,三核金属Co(II)之间存在着很好的反铁磁交换作用。  相似文献   

2.
配合物Fe(pda)2(H2O)4和[FeCo(pda)4(H2O)4]n的合成与晶体结构   总被引:1,自引:0,他引:1  
采用水热法合成了2个3-(3-吡啶基)丙烯酸的配合物:Fe(pda)2(H2O)4(1)和[FeCo(pda)4(H2O)4]n(2)(pda=3-(3-吡啶基)丙烯酸),用红外光谱、元素分析、热重-差热以及X-射线衍射单晶结构分析进行了表征.2个配合物都属于单斜晶系,配合物1的空间群为P21/n,配合物2的为P21/c.配合物1是一个pda配体中仅吡啶基氮原子参与配位、而羧基上的氧原子未参与配位的单核结构,通过大量的氢键作用形成三维超分子体系.2是pda配体桥联Fe和Co的异核二维层状配位聚合物;配体吡啶基上的氮原子和羧基上的氧原子都参与了配位,其中羧基采用单齿配位模式.  相似文献   

3.
吴琼洁  刘世雄 《结构化学》2004,23(10):1177-1182
本文合成了含水杨醛缩对硝基苯甲酰腙(简写为H2L)的钒酰配合物VOL(CH3OH)(CH3O)(1,C16H16N3O7V,Mr=413.26)和钴配合物[CoL(C5H5N)3]NO3C5H5N(2,C34H29N8O7Co,Mr=720.58)。配合物1属单斜晶系,空间群为P21/c,a=7.3253(3),b=18.8237(9),c=12.9014(5)?b=91.672(1),V=1778.2(1)3,Z=4,F(000)=848,m(MoKa)=0.603mm1,R=0.0470,wR=0.1312。配合物2属单斜晶系,空间群为P21/c,a=11.4196(8),b=17.157(1),c=17.081(1)?b=96.8233(9),V=3323.0(4)3,Z=4,F(000)=1488,m(MoKa)=0.578mm1,R=0.0455,wR=0.1311。在配合物1中,钒(V)原子由周围的酰氧基原子、配体L2的3个配位原子,去质子化甲醇的甲氧基原子和配位甲醇的氧原子配位,形成畸变的VO(ONO)(O)(O)八面体配位构型。晶体内每2个分子间通过氢键作用缔合成中心对称的分子对,OH…N氢键键长为2.861(4)?键角163.20。晶体中存在着弱p-p共轭作用。在配合物2中,钴(Ⅲ)原子由1个L2的3个配位原子和3个配位吡啶分子的3个氮原子配位,呈N4O2八面体配位构型。  相似文献   

4.
通过水热法合成了4-氟苯甲酸桥联的新型双核钴(Ⅱ)配合物[Co2(2,2-bpy)2(μ-L)2(L)2(μ-H2O)](HL=4-fluorobenzoic acid)(1)并测定了其晶体结构。结果表明配合物1属单斜晶系,空间群C2/c,晶胞参数为a=22.204(4),b=15.777(3),c=15.184(3),β=123.71(3)°,Z=4,Mr=1004.65,V=4424.7(15)3,μ=0.829 mm-1,Dc=1.508g/cm3,F(000)=2048,R1=0.0386,wR2=0.1006。配合物1具有双核蝴蝶状结构,中心钴(Ⅱ)离子处于CoN2O4八面体配位环境中,每个钴(Ⅱ)分别与来自一个2,2-联吡啶的2个N原子、三个4-氟苯甲酸根的3个O原子和一个配位水分子的1个O原子配位,两个钴(Ⅱ)被2个4-氟苯甲酸根和1个桥联水分子桥联为双核蝴蝶状结构。分子间通过氢键和π-π堆积作用,构成了3D超分子网状结构。变温磁化率测试结果表明该化合物在5~300K范围内显示反铁磁性。  相似文献   

5.
以N-苯基邻氨基苯甲酸(NPA)、CoSO_4和4,4'-联吡啶为原料,溶液法合成了一个新的配位聚合物[Co_2(C_(13)H_(10)NO_2)_4(4,4'-bipy)_2]_n,并对其进行了红外、元素分析、热重、荧光及X射线衍射等表征与研究.测定结果表明,该配合物晶体属三斜晶系,空间群P(1),晶胞参数:α=1.08699(13)nm,b=1.13623(13)nm,c=1.41472(16)nm,α=71.8860(10)°,β=76.374(2)°,γ=66.1770(10)°,V=1.5070(3)nm~3,D_c=1.409g·cm~(-3),Z=2,F(000)=662.最终GOF=1.028,最终偏离因子R_1=0.0437,wR_2=0.0794.中心Co(Ⅱ)离子分别与2个联吡啶N原子,4个羧基氧原子配位形成六配位的变形八面体结构.其中1个NPA分子的羧基以螯合方式与Co(Ⅱ)金属原子配位,另2个NPA分子的羧基以桥联的方式与相邻的2个Co(Ⅱ)离子配位,形成一个双核Co簇的二级构筑单元.此双核Co簇通过4,4'-联吡啶分子连接起来,最终形成形成一维双链梯状结构.  相似文献   

6.
肖子敬  刘世雄 《结构化学》2004,23(7):798-802
合成了镉的吡啶-2-磺酸配合物Cd(C5H4NSO3)2(H2O)2 1和锌的吡啶-2-磺酸配合物Zn(C5H4NSO3)2(H2O)2 2。 研究表明, 2个化合物属异质同晶, 均属单斜晶系, 空间群为C2/c. 化合物1晶胞参数为:a = 13.7671(5), b = 7.2778(3), c = 16.1559(9) ? b = 106.656(3)? V = 1550.8(1) 3, Z = 4, Dc = 1.990 g/cm3, m =1.719 mm-1, F(000) = 920, R = 0.0225, wR = 0.0584, 共收集到1759个独立衍射点, 其中I≥2(I)的可观测点为1681个;化合物2晶胞参数为:a = 13.711(1), b = 7.1451(9), c = 15.972(1) , b =107.079(5)? V = 1495.7(3) 3, Z = 4, Dc = 1.855 g/cm3, m = 1.964 mm-1, F(000) = 848, R = 0.0310, wR = 0.0831, 共收集到1707个独立衍射点, 其中I≥2(I)的可观测点为1592个。在2个标题配合物中, Cd2+离子(或Zn2+离子)由2个吡啶-2-磺酸中的2个氮和2个氧以及2个水分子中的2个氧配位形成畸变的N2O4八面体配位构型。每个配合物分子具有晶体学2次旋转轴对称性。配合物分子之间通过许多OH(配位水分子)LO(未配位磺酸根)氢键联结成二维结构网络。  相似文献   

7.
合成了4-羧基苯氧乙酸铜配合物[Cu(CBOAH)2(H2O)2](CBOAH-为4-羧基苯氧乙酸根阴离子), 对其进行了IR、TG和单晶X-射线衍射等表征。晶体C18H18CuO12 属单斜晶系, 空间群C2/c, 晶胞参数a = 12.298(3), b = 7.380(1), c = 21.413(4) ? ?= 94.00(3), V = 1938.8(7) , Mr = 489.88, Z = 4, Dc = 1.678 g/cm3, ?= 1.194 mm-1, F(000) = 1004, 最终R = 0.0279, wR = 0.0535。2个不同配体的氧乙酸上的羧基氧原子和醚氧原子与铜原子配位, 并形成赤道平面, 2个轴向位置分别被2个水分子所占据, Cu(Ⅱ)离子具有八面体配位构型。热分析结果表明在220℃前配合物是稳定的。  相似文献   

8.
由硝酸钴水溶液和肼基甲酸甲酯(NH2NHCOOCH3, mcz)的水溶液反应, 首次制备出了配合物[Co(mcz)3](NO3)2H2O, Mr = 471.23, 测定了其晶体结构。晶体属单斜晶系, P21/n空间群。晶体学参数为: a = 13.648(3), b = 8.234(1), c = 16.144(4) ? b=91.96(2), V=1813.1(5) ?, Z=4, Dc = 1.726 g/cm3, m(MoKa ) = 1.030 mm1, F(000)=972, R=0.0359, wR = 0.0935。在该配合物中, 肼基甲酸甲酯作为双齿配体, 由羰基氧原子和1位氮原子与钴原子配位, 形成五员平面螯合环, 配合物分子中共有3个这样的螯合环, 中心离子为六配位八面体构型。配合物的外界为2个硝酸根离子, 并含有1个结晶水分子, 通过库仑力与内界结合在一起, 相邻分子间以氢键作用连接。采用TG、DTG, DSC和IR技术研究了标题化合物热分解机理。在程序升温条件下, 该配合物有2个吸热峰和3个放热峰, 由TG-DTG分析和IR分析结果表明, 300 ℃时的最终分解产物为CoO。  相似文献   

9.
用水杨酸和吡啶与Ni(ClO4)26H2O 合成了一个新颖配位聚合物[Ni(Hsal)2(Py)2]n。对配合物进行了X射线衍射结构表征, C24H20N2NiO6, Mr = 491.13, 晶体属三斜晶系, P 空间群, 晶胞参数: a = 7.372(2), b =10.852(2), c = 14.728(3) ? a = 108.36(3), b = 93.83(3), g = 103.67(3), V = 1073.7(4) ?。F(000) = 508, m = 0.949mm-1, Z = 2, Dc = 1.519 g/cm3。最后修正到R = 0.0390, wR = 0.0772。配合物中Ni为五配位, 呈四方锥构型。配合物中2个水杨酸根的配位方式不一样, 其中一个水杨酸根作为双齿桥连配体, 使配合物呈一维链状结构。水杨酸苯环的-堆积作用和分子间的氢键作用, 又使配合物呈二维网络结构。  相似文献   

10.
在甲醇和水的混合溶剂中用呋喃甲酸、4,4′-联吡啶和碳酸钴合成了一种新型配位聚合物[Co(α-Furoic ac id)2(4,4-′b ipy)2(H2O)2]。该配合物晶体属三斜晶系,空间群P 1,晶胞参数:a=1.138 4(4),b=1.138 4(4),c=1.302 9(9)nm;γ=120.0°,V=1.462 3(12)nm3,Dc=1.612 g/cm3,Z=3,F(000)=729。最终偏离因子R1=0.049 0,wR2=0.143 6。晶体中钴原子与2个b ipy的2个N原子及2个呋喃甲酸根的2个氧原子配位及2个水分子的2个氧原子配位,形成六配位的变形八面体结构,结合晶体结构进行了电化学性质研究。结果表明,电极反应中电子转移是准可逆的,配合物稳定性好。  相似文献   

11.
1 INTRODUCTION The metal-containing supramolecular frame- works can be constructed through coordinate cova- lent or supramolecular contacts such as hydrogen- bond and π-π stacking[1 ~ 3]. Extended networks possessing higher dimensionalities can be obtained by assembly of coordination polymers (or comple- xes) with lower dimensionalities via hydrogen bond interactions[4~13]. However, normally the higher di- mensional networks are generated by one-dimen- sional chains through hydrogenbo…  相似文献   

12.
The title compounds (S)-methyl-2-(4-R-phenylsulfonamido)-3-(1H-indol-3- yl)propanoate (R = H (1), Cl (2)) have been synthesized and their crystal structures also have been determined by X-ray single-crystal diffraction. Compound 1 (C18H18N2O4S) belongs to orthorhombic, space group P212121 with a = 9.6348(14), b = 11.1517(17), c = 16.412(3) A, V = 1763.4(5) A^3, Mr = 358.40, Z = 4, De = 1.350 g/cm^3,/t = 0.209 mm^-1, F(000) = 752, R = 0.0348 and wR = 0.0714. Compound 2 (CI8H17ClN2O4S) crystallizes in orthorhombic, space group P212121 with a = 9.3128(14), b = 10.9655(16), c = 17.783(3) A, V = 1815.9(5) A^3, Mr = 392.85, Z = 4, De = 1.437 g/cm^3, p = 0.352 mm^-1, F(000) = 816, R = 0.0389 and wR = 0.0845. The absolute structure Flack parameters X of compounds 1 and 2 are -0.03(8) and -0.06(7), respectively. X-ray analysis reveals that the crystal structures of these two compounds both involve two intermolecular N-H…O hydrogen bond's.  相似文献   

13.
Synthesis and Structure of [Cu(OH)2(H2O)2(4—C5H4N—COOH)2]   总被引:1,自引:0,他引:1  
钟兆思  孙道峰 《结构化学》2001,20(6):478-480
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   

14.
A new double betaine 1,1 '-(propane-1,3-diyl)dipyridinium-4-carboxylate L has been synthesized. Reaction of 1,1'-(propane-1,3-diyl)dipyridinium-4-carboxylate tetrahydrate 1 With Co(ClO4)2·6H2O leads to the formation of a new Co(Ⅱ) coordination compound,namely [Co(H2O)6]·2H2O·2L·2ClO4 2.The crystal structures of 1 and 2 have been determined by single-crystal X-ray diffraction method. Crystal data for 1: monoclinic, space group C2/c, a =18.945(4), b = 7.700(2), c = 11.888(2) (A), β = 101.67(3)°, V = 1698.3(6) (A)3, Z = 4, F(000) =760.0, Dc = 1.402 g/cm3, the final R = 0.0607 and wR = 0.1607 for 950 observed reflections (I >2σ(I)); and those for 2: monoclinic, space group P21/c, a = 17.982(1), b = 15.879 (1), c = 7.0716(5) (A), β = 100.675(1)°, V = 1984.3(3) (A)3, Z = 4, F(000) = 1010.0, Dc = 1.631 g/cm3, the final R = 0.0316 and wR = 0.0896 for 3784 observed reflections (I >2σ(I)). Crystal structure analysis indicates that in 1, molecules of L in a "V-shaped" conformation are linked to chains sustained by O-H…O hydrogen bonds between carboxylate groups and solvent water molecules.The chains are joined by O-H…O and C-H…O hydrogen bonds to further expand into a three-dimensional structure. For 2, molecules of L in a "Z-shaped" conformation are linked by hydrogen bonds between carboxylate groups and aqua ligands to form a chain of loops running down the b axis. The (2D→2D) polythreading in compound 2 represents the mode of parallel interpenetration of 2D sheets, having polyrotaxane character.  相似文献   

15.
1 INTRODUCTION As a thiolate ligand with potential S and N donors, thiourea is interesting due to its multifunctional coor-diation modes (unidentate-N, unidentate-S or biden- tate-N, S)[1]. As a good extracting agent for nobelme-tals[2], thiourea has…  相似文献   

16.
The reaction of Ni(CH3COO)2(6H2O, 4-hydroxycinnamic acid (Hhca) and 4,4'-bipyri- dine (bipy) ligand in water-solution afforded a mononuclear complex [Ni(H2O)4(4,4'-bipy)2](hca)2 which was characterized by IR, elemental analysis, TGA and single-crystal X-ray diffraction. X-ray crystallography analysis reveals that the complex is of triclinic, space group P with a = 7.0238(14), b = 7.2934(11), c = 17.186(4) (A), α = 87.073(13), β = 84.354(10), γ = 81.961(12)°, V = 866.9(3) (A)3, Z = 1, Dc = 1.474 g/cm3, F(000) = 402, μ = 62.7 mm-1, R = 0.0411, wR = 0.0862 and GOF = 1.048. In solid state, the cation [Ni(H2O)4(4,4'-bpy)2]2+ connects six nearby hca counter anions via O-H…O hydrogen bonds to form an extended 2D lattice framework and the O-H…N hydrogen bonds finally link the 2D layers into an infinite 3D network.  相似文献   

17.
《结构化学》2004,23(3):324-331
合成了含四氮杂大环hmta(hmta = meso-5,7,7,12,14,14-六甲基-1,4,8,11-四氮杂环十四烷 )和O,O-二(2-苯乙基)二硫代磷酸根的配合物 [Ni(hmta){SSP(OCH2CH2Ph)2}2] 1和 [Cu(hmta){SSP(OCH2CH2Ph)2}2] 2 , 并测定了它们的晶体结构。配合物1属单斜晶系,空间群为P21/c,晶胞参数为: C48H72N4O4P2S4Ni, a = 9.827(3), b = 19.430(6), c = 13.932(3) ? b = 99.99(2), Mr = 1017.99, V = 2620(1) 3, Z = 2, Dc = 1.285 g/cm3, = 0.635 mm-1, F(000) = 1076, 最终的偏离因子为R = 0.0434, wR = 0.1078, 相应的可观测反射数为2306; 配合物2属单斜晶系, 空间群为P21/c, 晶胞参数为: C48H72N4O4P2S4CuO25, a = 9.730(4), b = 19.513(4), c = 14.031(3) ? b = 99.97(3), Mr = 1022.82, V = 2624 (1) 3, Z = 2, Dc = 1.295 g/cm3, = 0.681 mm-1, F(000) = 1086, 最终的偏离因子为R = 0.0465, wR = 0.1222, 相应的可观测反射数为2492。结构测定表明:两配合物中的配体 (PhCH2CH2O)2PS2-均为单齿配体,金属离子与硫和氮形成了六配位的拉长的八面体配合物,配合物分子具有中心对称性; 同时晶胞中配合物的两配体之间形成了2种N-H贩稴氢键。  相似文献   

18.
1 INTRODUCTION 2-Aminochromene is an important class of compounds as the main compounds of many natu- rally occurring products which can be used as cos- metics and pigments[1] and potential biodegradable agrochemicals[2~4]. Inorganic solid supports as c…  相似文献   

19.
1INTRODUCTIONThedevelopmentofinorganicsupramoleculararchitecturesisarapidlydevelopedareaofresearchthathasimplicationsfortherationaldesignoffunctionalmaterials[1,2].Aconvenientpathtoobtainapolymericstructureistouseabidentateligand,suchaspyrazine,4,4-bipyridineor4,4?azobispyridinetolinkthemetalions,forminganinfinitestructure[3,4].Theuniquedirectionality,strength,andcomplementarityofnon-covalenthydrogenbondingplayanimportantroleintheconstructionofavarietyofmotifsformolecularself-assemblyandre…  相似文献   

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