一维链状锰配合物的合成、结构及磁性研究

合成了邻硝基苯磺酰化丙氨酸配体2-NBS-AlaH (1)(2-NBS-AlaH=邻硝基苯磺酰化丙氨酸)及其锰的配合物[Mn(4，4′-bipy)(H₂O)₄]₂[(4，4′-bipy)₂(H₂O)₃(2-NBS-Ala)₄] (2)。通过X-射线单晶衍射测定了其结构：配体通过氢键形成了一维链状结构；配合物2中，4，4′-bipy把锰离子连成了一维链状结构。磁性研究表明，配合物由于分子间的自旋耦合呈现出弱的铁磁性。     

基于席夫碱配合物的分子磁体：合成、结构和磁学性质

基于席夫碱配合物的分子磁体：合成、结构和磁学性质;席夫碱;配位聚合物;晶体结构;磁学性质     

一个含苯甲酸配体的Mn-Ce混合金属簇合物的合成、晶体结构与磁性研究

本文使用(NH₄)₂Ce(NO₃)₆氧化Mn2+法合成了1个结构新颖的Mn-Ce混合金属簇合物[Mn₃Ce₂(O)₅(O₂CPh)₉(CH₃OH)₃]·2CH₃CN(1·2CH₃CN, HO₂CPh代表苯甲酸), 并对其进行元素分析、红外光谱、单晶X-射线结构分析、磁性等表征。结构分析表明, 化合物1·2CH₃CN属于三斜晶系P1空间群, 结构中2个Mn⁴⁺离子、2个Ce⁴⁺离子和4个桥连μ₃-O原子组成1个不规则的立方烷, 然后通过另1个桥连μ₃-O原子与另1个Mn³⁺离子相连。晶胞内分子间没有氢键作用, 但存在较强的π-π堆积作用。磁性研究表明, 簇合物内Mn离子之间存在铁磁性耦合作用, 基态自旋值S=5和磁各向异性参数D=-0.31 cm^-1, 交流磁化率没有频率依赖现象。     

一个含苯甲酸配体的Mn-Ce混合金属簇合物的合成、晶体结构与磁性研究

本文使用(NH4)2Ce(NO3)6氧化Mn2+法合成了1个结构新颖的Mn-Ce混合金属簇合物[Mn3Ce2(O)5(O2CPh)9(CH3OH)3]·2CH3CN(1.2CH3CN,HO2CPh代表苯甲酸),并对其进行元素分析、红外光谱、单晶X-射线结构分析、磁性等表征。结构分析表明,化合物1.2CH3CN属于三斜晶系P1空间群,结构中2个Mn4+离子、2个Ce4+离子和4个桥连μ3-O原子组成1个不规则的立方烷,然后通过另1个桥连μ3-O原子与另1个Mn3+离子相连。晶胞内分子间没有氢键作用,但存在较强的π-π堆积作用。磁性研究表明,簇合物内Mn离子之间存在铁磁性耦合作用,基态自旋值S=5和磁各向异性参数D=-0.31 cm-1,交流磁化率没有频率依赖现象。     

Synthesis, Crystal Structure and Properties of a New One-Dimensional 3d-4f Compound

Introduction Recently cyano bridged 3d-4f heterometallic compounds have attracted much attention because of their interesting structures and magnetic characteristics.1 The most successful and often the sole strategy for preparing these materials consists in assembling two building blocks that are transition and lanthanide metal complexes, one with terminal ligands that are able to act as bridging ligands and the other with available co-ordination sites. The [M(CN)4]2- (M=Ni, Pd, Pt),1f,2 [M…     

三维开放骨架结构混配型铜羟亚乙基二膦酸化合物的合成、结构和磁性研究

采用水热方法合成了一个具有新型三维骨架结构的混配型铜羟亚乙基二膦酸化合物Na₂Cu₃(hedp)₂(pz)(H₂O)₂(hedp=1-羟亚乙基二膦酸)，并对其进行了初步表征。X-射线单晶结构分析表明它属于三斜晶系，空间群为P1，晶胞参数为a=6.2435(17)?，b=7.100(2)?，c=11.998(3)?，α=84.400(4)°，β     

离子对化合物[(IBz)_2Im](TCNQ)的合成与结构表征(英文)

A novel compound [(IBz)2Im](TCNQ) [(IBz)2Im=1,3-bis(4-iodobenzyl) imidazole cation, TCNQ-=7,7,8,8-tetracyanoquinodimethanide anion] was synthesized by the reaction of [(IBz)2Im]Br and LiTCNQ in CH3OH and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a=1.147 35(18) nm, b=2.028 1(3) nm, c=1.264 1(2) nm, β=104.73(0)°, V=2.666(65) nm3, Z=4, C29H19I2N6, Mr= 705.30, Dc=1.757 g·cm-3, R1=0.053 2 and wR2=0.111 2. The structure analysis shows that the anions are stacked into column with isolated π-dimers, and there is one type of TCNQ entries (TCNQ-), in agreement with the IR spectra analysis of the compound. The most prominent structural features are the completely segregated stacking columns of the TCNQ-anions and [(IBz)2Im]+ cations. CCDC: 759523.     

二维含镧链异核金属化合物的合成、结构和磁性研究

水热法合成了3个层状异核金属化合物[Ln(idaH)M(ida)₂]_n·0.5nH₂O,(H₂ida=亚氨基二乙酸,Ln=Nd,M=Co (1);Ln=La,M=Co (2);Ln=La,M=Ni (3))。进行了晶体结构测定,红外光谱分析、能谱分析与磁性能分析。3个化合物除金属原子不同外具有相同的结构,其晶体都属于单斜晶系,C2/c空间群。单晶结构表明该结构含有由十配位的Ln通过羧基氧连接而成的链,六配位的3d金属(Co、Ni)交替地处在链的两边,形成了带状结构,带状链通过配体连成二维结构,通过氢键形成三维骨架。     

二咪唑基苯及硫酸根构筑的钴配位聚合物的合成、晶体结构和磁性质

由溶剂热法合成了钴化合物[Co(dib)(SO4)](1)(dib=1,4-二咪唑基苯),并对其进行了元素分析、IR及X-射线衍射法表征。晶体结构表明:配合物1属于单斜晶系,C2/c空间群。配合物1是由桥联配体1,4-二咪唑基苯连接成二维层状结构,该二维层被硫酸根离子拓展成三维层柱状结构。配合物1的磁性测试研究表明它具有弱反铁磁性。     

Synthesis,Crystal Structure,and Magnetic Properties of a New Dinuclear Iron Complex with Schiff Base Ligand

A new dinuclear iron(Ⅲ) complex has been synthesized and structurally characterized by X-ray crystallography: [FeⅢ2(L)(C6H5COO)(SO4)(CH3OH)2]·CH3CN·CH3OH(1, H3 L = N,N'-bis(salicylidene)-1,3-diamino-2-propanol). Complex 1 belongs to orthorhombic space group Pna21 with a = 11.4400(8), b = 22.9705(2), c = 12.5712(9) , V = 3303.5(4) 3, Z = 4, F(000) = 1576, Dc = 1.531 g·cm–3, Mr = 761.36, μ = 1.007 mm–1, S = 1.014, the final R = 0.0505 and wR = 0.1018. The crystal packing is stabilized by intermolecular O–H···O hydrogen bonds, forming an extended one-dimensional chain structure. The temperature dependence of magnetic susceptibility measurement shows that antiferromagnetic interaction is propagated between the metal centers. Fit as dinuclear arrangement gave parameters of J = 19.7 cm-1, g = 1.89 and R2 = 0.9999.     

呈现强链内铁磁耦合的EO-叠氮与羧基双重桥连一维铜链化合物:合成、晶体结构、磁性及DFT计算

合成了一例以取代苯甲酸衍生物为辅助配体的叠氮铜化合物[Cu（4-Fb）（N₃）（H₂O）]_n （1）（4-Fb=4-formylbenzoate）,并对其结构和磁性进行了表征。单晶结构研究表明,化合物1中的最小不对称单元包含一个晶体学独立的Cu（Ⅱ）离子,中心离子呈现了扭曲的四棱锥几何构型。相邻的Cu（Ⅱ）离子之间通过交替的μ-1,1-（EO）-叠氮和syn,syn-羧酸双重桥连接成一维线性金属链。磁性研究揭示,双重桥的超交换反补偿效应导致目标化合物中链内相邻的Cu（Ⅱ）离子之间表现出强的铁磁耦合作用（J=72.1 cm^-1）。但是并没有观察到铁磁有序和慢磁弛豫现象。作为影响磁性能的重要结构参数,化合物中Cu-N-Cu的角度（113.34°）与已报道的含双重桥的叠氮铜体系相符。对化合物的磁构关系进行了讨论和探究。此外,密度泛函理论（DFT）计算结果为化合物中相邻Cu（Ⅱ）离子间的铁磁耦合作用提供了定性的理论解释。     

Preparation,Crystal Structure and Density Functional Theory Calculations of the Ion-pair Compound [Cl2Bz（3-MeQl）]（TCNQ）

A novel compound [Cl2Bz(3-MeQl) ](TCNQ) ([Cl2Bz(3-MeQl) ]+ = 1-(3,4-dichlo-robenzyl) 3-methlquinoline cation,TCNQ-= 7,7,8,8-tetracyanoquinodimethanide anion) has been synthesized by the reaction of [Cl2Bz(3-MeQl) ]Br and LiTCNQ,and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic,space group P21/c. The structure analysis shows that the anions are stacked into a column with isolated π-dimers,and there is one type of TCNQ entries(TCNQ) ,in agreement with the IR spectra analysis and density functional theory calculations of the compound. The most prominent structural features are the completely segregated stacking columns of the TCNQ- anions and [Cl2Bz(3-MeQl)]+ cations.     

Synthesis and Crystal Structure of a Novel Ion-pair Compound Consisting of 1,3-Bis（4-cynobenzyl） Imidazole Cation and 7,7,8,8-Tetracyanoquinodimethanide Anion

A novel compound [(CNBz)2Im]2(TCNQ)3(CH3CN)((CNBz)2Im = 1,3-bis(4-cyano-benzyl) imidazole cation,TCNQ-1 = 7,7,8,8-tetracyanoquinodimethanide anion) was synthesized by the reaction of [(CNBz)2Im]Br and LiTCNQ in water and its structure was determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/c with a = 10.1823(17),b = 20.292(3),c = 16.952(3) ,β = 104.73(0)°,V = 3387.6(10)3,Z = 4,C39H24N11,Mr = 646.69,Dc = 1.268 g/cm3,μ = 0.080 mm-1 and F(000) = 1340.The structure was solved by direct methods and refined to R = 0.0596 and wR = 0.0911 for 2690 observed reflections(Ⅰ 2σ(Ⅰ)).The most prominent structural feature is that there are two types of TCNQ entries(TCNQ-1 and TCNQ0) in agreement with the IR spectra analysis of the compound.     

Crystal Structure and Magnetic Property of a Two-dimensional Manganese Compound [Mn(PhCOO)_2(4,4'-bipyridine)]_n

A new two-dimensional polymeric manganese compound [Mn(PhCOO)2(4,4'-bi-pyridine)]n 1 has been prepared and structurally characterized by X-ray diffraction. The complex crystallizes in space group Pbcn with a = 18.7158(2), b = 11.6919(3), c = 9.4799(2) , V = 2074.42(7) 3, Z = 4, Mr = 453.34, Dc = 1.452 g/cm3, μ = 0.670 mm-1 and F(000) = 932. The final refinement gave R = 0.0458 and wR = 0.1439 for 1358 observed reflections with I > 2σ(I). The complex consists of repeating units of Mn(PhCOO)2(4,4'-bipyridine). Each Mn center is six-coordinated by four carboxylate O atoms of four benzoate anions and two pyridyl N atoms from bipy ligands to furnish a slightly distorted octahedral geometry. The two adjacent Mn atoms are connected by a pair of μ1,3-carboxylate groups to form infinite chains, which are further interlinked by bipy to complete a 2D grid network. The magnetic property of the polymeric complex has also been investigated.     

Synthesis and Crystal Structure of a Novel Ion-pair Compound Consisting of 1-（4-Bromobenzyl）pyridinium Cation and 7,7,8,8-Tetracyanoquinodimethanide Anion

The title compound [BrBzPy][TCNQ] （BrBzPy^＋=1-（4-bromobenzyl）pyridinium cation, TCNQ = 7,7,8,8-tetracyanoquinodimethanide anion） was synthesized by the reaction of [BrBzPy]Br and LiTCNQ in ethanol solution and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 14.067（3）, b = 7.3089（14）, c = 23.796（4）A, β = 122.011（9）°, V= 2074.6（7）A^3, Z = 4, C24H15BrN5, Mr = 453.32, Dc = 1.451 g/cm^3,μ = 2.002 mm^-1, S = 1.047, F（000） = 916, R = 0.0398 and wR = 0.0921. The most prominent structural features are the completely segregated stacking columns of the TCNQ- anions and [BrBzPy]^＋ cations. In a TCNQ column, the centroid-to-centroid distances of the neighboring anions of TCNQ are 3.2693 and 4.9464 A, respectively.     

两个由铜离子与Waugh-型阴离子构筑的化合物的合成、晶体结构及表征

以(NH4)6[MnMo9O32]·8H2O为前体原料,与CuCl2及吡啶反应得到了2个Waugh型钼酸盐[Cu(H2O)4]3MnMo9O32·6H2O(1)和[Cu(H2O)4][Cu(C5H5N)(H2O)2]2(C5H5N)MnMo9O32·4H2O(2),并用元素分析、X-射线单晶衍射、红外光谱、固体紫外可见光谱、近红外光谱和热重分析对其进行了表征,并研究了化合物1的磁性质。晶体结构表明,化合物1属于三方晶系,空间群为R32;化合物2属于单斜晶系,空间群为C2/c。化合物1中Cu2+与[MnMo9O32]6-连接形成了三维二重穿插的α-Po拓扑结构。化合物2中单核铜"Cu(H2O)4"和双核铜建筑块"[Cu2(C5H5N)2(H2O)4]"作为桥连接阴离子[MnMo9O32]6-形成了三维网络结构。其中化合物2是首例有机配体参与过渡金属离子配位的Waugh型化合物。     

[NH3(CH2)5NH3][Fe2{O3PC(CH3)(OH)(PO3H)}2]·2H2O:一个新的二膦酸亚铁化合物的合成、结构与性质研究

通过水热合成得到一个新的有机二膦酸亚铁化合物[NH₃(CH₂)₅NH₃][Fe₂^Ⅱ{O₃PC(CH₃)(OH)(PO₃H)}₂]·2H₂O,该化合物包含阴离子型共价双链[Fe₂^Ⅱ{O₃PC(CH相似文献   

Synthesis, Crystal Structure and Fluorescent Property of a New Sulfanilamide Schiff-base Compound

A new sulfanilamide Schiff-base compound N,N'-(p-phenyl sulfanilamide)-5,6-dimethoxy-pyrimidine-(2-hydroxyl benzene) methylidene has been synthesized by the condensation of equimolar salicylaldehyde and 4-(p-amino phenyl sulfanilamide)-5,6-dimethoxy-pyrimidine in an anhydrous ethanol solution.The compound was characterized by elemental analysis,IR spectra,and single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group P21/c with a=19.0425(11),b=11.1914(6),c=9.0075(5),β=93.9650(10)°,Z=4,V=1915.01(18)3,Dc=1.437 g/cm3,Mr=414.43,λ(MoKa)=0.71073,μ=2.09 mm-1,F(000)=864,R=0.0385 and wR=0.1224.     

Synthesis, Crystal Structure and Magnetic Properties of Novel Three-dimensional Frameworks [Mn(PDC)H2O]n

A novel coordination polymer, [Mn(PDC)H2O]n (1) (H2PDC＝pyridine-2,3-dicarboxylic acid), has been hydrothermally synthesized and characterized by elemental analysis, IR and single crystal X-ray diffraction. X-ray single crystal structural analyses revealed that two-dimensional frameworks were formed, and further assembled into a three-dimensional supramolecular structure bridged by PDC ligands. Moreover, the magnetic study of complex 1 shows weak antiferromagnetic interaction between the neighboring Mn(II) centers within the chains and even weak ferromagnetic interactions between the Mn(II) centers in different chains.