二维层状镉配合物[Cd(mbix)(BIPA)]的水热合成、晶体结构及荧光性质

A 2D coordination polymer of [Cd(mbix)(BIPA)] (1) (H₂BIPA=5-bromoisophthalic acid and mbix=1,3-bis(imidazol-1-ylmethyl) benzene) has been hydrothermal prepared and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction structure analysis. The crystal is of monoclinic, space group P2₁/n with a=1.002 0(4) nm, b=1.754 4(7) nm, c=1.208 8(5) nm, β=94.271(5), V=2.119 1(15) nm³, D_c=1.861 g·cm^-3, Z=4, F(000)=1 168, Goof=1.085, R₁=0.045 0, wR₂=0.093 1. The crystal structure shows that the Cd₂ units are formed by the two caroboxylate group adopting tridentate-chelating-bridging coordination mode, which are linked to form a 2D layer structure by the ligands, and further extended into a 3D supramolecular structure through C-H…O hydrogen bonding interactions and π-π weak interactions. In addition, complex 1 exhibits strong photolumine-scent emission at room temperature. CCDC: 710801.     

一维链状配合物Cd(SDBA)(H_2O)_2的合成及其晶体结构

用水热法合成了新型的一维配合物Cd(SDBA)(H2O)2(1,H2SDBA=二苯砜-4,4'-二甲酸),其结构经IR,元素分析和X-射线单晶衍射表征.1属于单斜晶系,P2/c空间群,晶胞参数: a=1.330 3(6) nm,b=0.528 2(9) nm,c=1.217 6(6) nm,β=116.143(5)°,V=0.768(6) nm3,Z=2,Mr=452.7 g·mol-1,Dc=1.958 g·cm-3,μ=1.599 mm-1,F(000)=448,R1=0.041 3,wR2=0.098 3,S=0.985. 1中Cd2+与2个SDBA2-配体上的4个O原子和2个配位水上的2个O原子配位,形成一个畸变的八面体.在a轴方向,Cd2+经SDBA2-桥联形成一维波浪状链,链与链之间通过氢键相互作用形成三维超分子结构.     

二氰基二硫纶和邻菲罗啉二酮的镍(Ⅱ)、铜(Ⅱ)、锌(Ⅱ)配合物的合成与性质

The new title complexes ［M(mnt)(phen-5,6-dione)］(M=Ni(Ⅱ)、 Cu(Ⅱ)、 Zn(Ⅱ), mnt=maleonitriledithiolate) are synthesized by reaction of Na₂(mnt) with relevant ［M(phen-5,6-dione)Cl₂］, respectively. The structure and properties of the complexes were characterized by elemental analysis, molar conductivities, TG,IR, UV-Vis, and fluorescence spectra.     

配合物[1-(4′-fluorobenzyl)pyridinium]2[Ni(dto)2](dto2-=dithiooxalate dianion)的合成及晶体结构

The complex [1-(4′-fluorobenzyl)pyridinium]₂[Ni(dto)₂] (dto^2- means dithiooxalate dianion) has been pre-pared by reaction of Na₂[Ni(S₂C₂O₂)₂] and the 1-(4′-fluorobenzyl)pyridinium chloride salt. The crystallographic data for the title complex: triclinic P1, a=8.5698(8)?, b=9.3461(9)?, c=10.5361(10)?, α=67.177(2)°, β=67.398(2)°, γ=79.611(2)°, V=717.59(12)?³, Z=1. The [Ni(dto)₂]^2- anion with the Ni atom lying on an inversion center and exhibits a quasi-planar structure. An extensive hydrogen bond network of C-H…O is clearly observed. The nature and size of cation seems to play an important factor in the type of intermolecular interactions as well as the crystal packing in this kind of complexes.     

银/金纳米线阵列表面增强拉曼基底的制备及对孔雀石绿的高灵敏度检测

利用种子介导的软模板生长方法制备了金纳米线(Au NWs)阵列, 通过调节生长温度控制Au NWs阵列的形貌, 最后在经硼氢化钠(NaBH₄)清洗过的Au NWs阵列上化学沉积银纳米颗粒(Ag NPs), 制得银/金纳米线(Ag/Au NWs)阵列作为表面增强拉曼散射(SERS)基底. 选用罗丹明6G(R6G)作为拉曼探针分子测定了Ag/Au NWs阵列的SERS性能. 结果表明, Ag/Au NWs阵列作为SERS基底具有高灵敏度、 优异的信号均匀性和良好的稳定性. 使用Ag/Au NWs阵列对孔雀石绿(MG)检测的检出限可低至1×10^-8 mol/L, 线性范围为 1×10^-8~1×10^-4 mol/L. NaBH₄可以在不影响SERS性能的情况下去除Ag/Au NWs阵列上吸附的分子, 使得 SERS基底可以重复使用. 使用Ag/Au NWs阵列对湖水中的MG进行检测, 得到了可靠的回收率, 证明Ag/Au NWs 阵列在检测环境水体中的孔雀石绿上具有应用潜力.     

Synthesis and Crystal Structure of a Cobalt（Ⅱ） Coordination Polymer with Benzene-1,3,5-triacetate and 1,2-Di（pyridin-4-yl）ethene

A novel coordination polymer, [Co3(bta)2(dpe)3(H2O)2]·2H2O (1, H3bta = benzene-1,3,5-triacetic acid, and dpe = 1,2-di(pyridin-4-yl)ethene), has been hydrothermally prepared and characterized by IR spectroscopy, elemental analysis and single-crystal X-ray diffraction. The crystal is of triclinic system, space group P , with a = 9.5687(15), b = 11.2470(17), c = 13.686(2) , α = 78.262(3), β = 89.271(4), γ = 81.292(3)°, V = 1425.2(4) 3, C60H56N6O16Co3, Mr = 1293.90, Dc = 1.508 g/cm3, F(000) = 667, μ = 0.940 mm-1 and Z = 1. The final R = 0.0707 and wR = 0.1413 for 4950 observed reflections (I > 2σ(I)). In the title complex, the bta ligand acts as a four-dentate bridging ligand to link up cobalt atoms into lamellar frameworks which are further interlinked by the dpe ligands to generate a trinodal (3,4,6)-connected (4.62)2(42.68.83.102)(64.82) net.     

马来腈二硫纶·邻菲咯啉镍(II)配合物的电子光谱和理论研究

测量了标题配合物Ni(mnt)(phen)在多种介质中的电子吸收光谱和发射光谱, 使用密度泛函理论的B3LYP方法和分子轨道理论的PM3方法研究了其气态分子几何构型、电子结构和成键, 用ZINDO/S方法通过多组态的组态相互作用(CI)计算解释了实验光谱. 结果表明: 该配合物分子为平面结构, 对称性属于点群C_2v, 基态为自旋三重态, 配位键Ni—N和Ni—S为典型的共价结合, Ni的3d电子反馈效应较显著; 可见区的吸收带和发射带(对应于基态电子组态到较低能量激发态组态的跃迁)本质上属于配体phen到mnt^2－的荷移跃迁(LL'CT), 紫外区的吸收带本质上属于配体的π→π*跃迁.     

两种新型电荷转移盐的合成和光谱研究

合成了两种新的有机盐[NO₂BzPy]Cl(1)和[NO₂BzPyNH₂]Cl(2),(1)[或(2)]与K[TCNQ]₂进一步反应生成[NO₂BzPy] [TCNQ]₂ (3)和[NO₂BzPyNH₂] [TCNQ]₂(4)。光谱数据表明：TCNQ盐中存在TCNQ0和TCNQ-,并形成了一维TCNQ分子柱,且TCNQ₀和TCNQ-之间存在相互作用,部分电荷从[TCNQ]-₂向阳离子([NO₂BzPy]+和[NO₂BzPyNH₂]+)转移。     

双金属层状配位聚合物{[NO2 BzQl][MCr(ox)3]}∞的合成、光谱表征和磁性研究

合成了两种新的草酸根桥联的双金属层状配位聚合物,{[NO2BzQl][MCr(ox)3]}∞,其中[NO2BzQl]+为1-(p-nitrobenzyl)quinolinium,ox2-为Oxalate,M为Ni2+或Cu2+,并经元素分析、红外光谱表征.变温磁化率测定结果表明,在这两种层状配位聚合物中,相邻的金属离子之间存在反铁磁偶合作用.应用Curie-Weiss公式拟合相应的变温磁化率数据为:C=0.662 emu K/mol,θ=-1.658 K,R=2.0×10-5(Ni2+);C=0.17 emu K/mo1,θ=-0.693 K,R=1.86×10-6(Cu2+).     

双金属层状配位聚合物{[NO2 BzQl][MCr(ox)3]}∞的合成、光谱表征和磁性研究

合成了两种新的草酸根桥联的双金属层状配位聚合物 ,{ [NO2 BzQl][MCr(ox) 3 ]} ∞ ,其中 [NO2 BzQl]+为 1 (p nitrobenzyl) quinolinium ,ox2 -为Oxalate ,M为Ni2 + 或Cu2 + ,并经元素分析、红外光谱表征 .变温磁化率测定结果表明 ,在这两种层状配位聚合物中 ,相邻的金属离子之间存在反铁磁偶合作用 .应用Curie -Weiss公式拟合相应的变温磁化率数据为 :C =0 .6 6 2emuK/mol,θ =- 1.6 5 8K ,R =2 .0× 10 -5(Ni2 + ) ;C =0 .17emuK/mol,θ=- 0 .6 93K ,R =1.86× 10 -6(Cu2 + ) .