Crystal Structure and Photoluminescence of a New Cadmium Complex with 6,7-Dicyanodipyridoquinoxalin

The reaction of CdCl2 with 6,7-dicyanodipyridoquinoxaline (DICNQ) by solvothermal reaction gives rise to a coordination polymer [CdCl2(DICNQ)]n 1. Single-crystal X-ray diffraction analysis reveals that the compound in space group Pbcn creates 1-D chloro-bridging chains. Crystal data for 1: a = 6.756(1), b = 35.371(6), c = 7.027(1) , V = 1679.1(5) 3, Z = 4.00, C16H6CdCl2N6, Mr = 465.57, Dc = 1.842 g/cm3, μ = 1.630 mm-1, F(000) = 904, S = 1.005 and T = 293(2) K. The final R = 0.0376 and wR = 0.1029 for 1291 observed reflections with I > 2σ(I), and R = 0.0499 and wR = 0.1125 for all data. The 1-D chloro-bridging chains are parallel-stacked in the a and b directions, and further stabilized through π-stacking interactions, hydrogen-bonding interactions and C≡N···π interactions to generate a 3-D structure. Compound 1 displays intense bluish-green photoluminescence from the intraligand charge-transfer of the DICNQ ligand and the Cl--to-DICNQ charge-transfer mechanism which is probed by the density of states (DOS) calculations.     

Synthesis and Crystal Structur of (4,4′-H_2bipy)[CdBr_4]·H_2O

The title compound (4,4′-H2bipy)[CdBr4]·H2O 1 has been synthesized via hydrothermal reaction and characterized by X-ray diffraction. The crystal belongs to monoclinic,space group P21/c with a=8.260(3),b=23.926(7),c=9.774(2),β=106.777(9)o,C10H12Br4CdN2O,Mr=608.26,V=1849.4(9)3,Z=4,Dc=2.185 g/cm3,S=1.005,μ(MoKα) =9.814 mm–1,F(000)=1128,R=0.0646 and wR=0.0989. The crystal structure analysis of 1 reveals that the title compound features an isolated structure,based on discrete 4,4′-H2bipy moieties and lattice water molecules which are linked by hydrogen bonds together with tetra-hedral cadmium atoms terminally coordinated by four bromine atoms.     

双功能镧系化合物:合成、结构、磁性和荧光性质

利用N-succinopyridine（HL）配体,成功合成了2个同构型镧系化合物[Ln（HL）₂（H₂O）₄]Cl₃（Ln=Pr（1）,Eu（2））并对其进行了结构表征。1和2均由羧酸配体双桥联金属离子形成1D链结构,再通过氢键进一步相互连接构成了3D超分子结构。变温磁化率测试表明1中Pr（Ⅲ）离子之间存在反铁磁相互作用,而在2中,Eu（Ⅲ）离子之间则表现出弱铁磁相互作用。固态发光测试观察到2可以发出很强的红光,但由于Pr（Ⅲ）离子的能隙较大,未观察到1的特征峰。     

富晶格位错的多孔铋纳米花高效电还原二氧化碳制甲酸盐※

二氧化碳转化已成为现今世界研究的热点. 本工作采用原位电化学转化的策略, 将简单溶剂热法合成的层状甲酸氧铋纳米花(BiOCOOH NFs)还原为带有大量晶格位错的多孔铋纳米花(p-Bi NFs). 研究结果表明, p-Bi NFs电催化二氧化碳转化为甲酸盐具有较小的过电位(436 mV). 在–1.8 V(相对饱和甘汞电极, vs. SCE)时, 甲酸盐的分电流密度(j_formate)高达24.4 mA•cm^-2, 法拉第效率(FE_formate)为96.7%, 且在超过500 mV的宽电位窗口内FE_formate超过90%, 并具有很好的稳定性. 该催化剂的高催化性能可归因于前驱体晶格坍塌和重构而形成特殊的多孔粗糙的微纳多级结构, 其表面富含晶格位错和缺陷等高本征活性位, 且具有较强的电子传递能力. 本研究为设计合成高性能的电催化二氧化碳还原产甲酸催化剂提供了新的思路.     

一个新颖氰根桥联化合物SmFe(CN)_6(DMSO)_2·H_2O的合成与结构

稀土氯化物SmCl3(6H2O与K3Fe(CN)6在水/乙醇/DMSO混合溶剂中反应合成了标题化合物: SmFe(CN)6(DMSO)2(H2O(C10H14N6O3S2FeSm, Mr = 536.59),晶体属单斜晶系,空间群 P2/n,a = 7.759(1), b = 10.673(1),c = 11.014（2）?,β= 97.106（2）(,V = 905.0（2）? 3, Z = 2 , Dc = 1.969 g/cm3, F（000）= 520,R = 0.0474 , wR = 0.0925。该化合物为氰基桥联稀土-过渡金属化合物,稀土离子(Sm3+)为7配位的五角双锥构型。化合物的结构可描述为由方砖铺砌成的楼梯状二维层结构,层之间由氢键连接沿b轴方向堆积而成三维网状结构。     

[NEt4][CoCl3(PPh3)]的合成和晶体结构

标题化合物是反应体系（ＮＨ４）３ＶＳ４／ＣｏＣ２（ＰＰｈ３）２／ＮＥｔ４Ｃｌ在ＣＨ２ＣＩ２中反应而得到的,单晶Ｘ射线结构分析表明其晶体地立方晶系,化学式为Ｃ２６Ｈ３５ＮＣｌ３ＣｏＰ,空间群为Ｐａ３,Ｍｒ＝５５７．８４,ａ＝１７．８０７（５）,Ａ,Ｖ＝５６４６．４Ａ＾３,Ｚ＝８,Ｄｃ＝１．３１ｇ／ｃｍ＾３,Ｆ（０００）＝２３２８,μ（ＭｏＫａ）＝９．６ｃｍ＾－１,Ｒ＝０．０６２,Ｒｗ＝０．０６７,标     

含[V2M6S6O2](M＝Cu,Ag)簇骼单元的八核簇合物的分子结构和谱学性质

报道了两个「Ｖ２Ｍ６Ｓ６Ｏ」（Ｍ＝Ｃｕ,Ａｇ）八核簇合物的合成和分子结构,讨论了它们的约外光谱,＾５１ＶＮＭＲ和电子光谱,采用动态红外光谱跟踪技术探讨「Ｖ２Ｃｕ６Ｓ６Ｏ２」簇合物的成簇机理。     

A New 1-D Chain ofγ-Hg3S2Br2Constructed from Hg4S4Squares:Solid-state Synthesis,Structure and Optical Properties

A new metal chalcogenide,γ-Hg₃S₂Br₂(1),has been prepared by moderate-temperature solid-state reaction,and its crystal structure was determined by single-crystal X-ray diffraction analysis.Compound 1 crystallizes in space group Cmmm of orthorhombic system with a=9.1923(18),b=18.2262(5),c=4.6251(7)?,V=774.9(3)?³and Z=4.In the structure,two Hg(1),two Hg(2)and four S(1)atoms form a near square Hg₄S₄,and such squares are linked by Hg(3)atoms nearly linearly coordinated to two S1 atoms of two parallel Hg₄S₄squares to form one-dimensional infinite Hg₆S₄chains along c direction.Optical absorption spectra reveal the presence of sharp optical gap of 2.80 eV for 1.IR spectrum,TGA and electric resistivity have been investigated.     

Enhancing Electrochemical Reduction of CO_2 to Formate by Regulating the Support Morphology

Electroreduction of CO₂ to formic acid has attracted extensive attention,because it is a promising strategy to re-utilize CO₂ and reduce greenhouse gas emissions that may favor the mitigation of energy and environment issues.Although great efforts have been made to tune the structure and composition of catalysts aiming to improve CO₂ conversion efficiency,seldom studies have been focused on the support regulation.In this work,ordered,porous TiO₂ nanotube arrays have been used as model support to study the impact of pore structure for CO₂ electrochemical reduction.It has been revealed that Pd supported on TiO₂ nanotube arrays substrate exhibits enhanced performance towards CO₂ reduction,showing a higher formate Faradaic efficiency of 20%over than Pd supported on TiO₂ film substrate.This study will shed new light on the design and synthesis of efficient catalysts by tuning the morphology of support for CO₂ conversion.     

Synthesis and Structural Characterization of a Cyano-bridged Dinuclear Neodymium(III)-iron(III) Complex [Nd(DMSO)5(H2O)2](μ-CN)[Fe(CN)5]

A new neodymiumIII-ironIII complex [Nd(DMSO)5(H2O)2](μ-CN)[Fe(CN)5] (DMSO = dimethyl sulfoxide) has been synthesized by the grinding reaction method. The crystal belongs to monoclinic, space group P21/m with a = 8.859(4), b = 13.684(5), c = 12.290(4) A, β = 91.85(2)o, C16H34FeN6NdO7S5, Mr = 782.88, V = 1489(1)A3, Z = 2, Dc = 1.746 g/cm3, S = 0.906, μ(MoKα) = 2.606 mm-1, F(000) = 788, R = 0.0646 and wR = 0.1654. The slightly distorted square-antiprism eightfold-coordinated Nd(III) and approximately oriented octahedrally sixfold- coordinated Fe(III) are linked by a cyano-bridge group to construct a dinuclear compound. The [Nd(DMSO)5(H2O)2](μ-CN)[Fe(CN)5] species are held together via hydrogen bonds to form a three-dimensional framework.