一个新颖镍配位阳离子修饰的还原型钼磷酸盐：Ni[Mo6O12(OH)3(PO4)(HPO4)3]2][Ni(H2O)2][Ni(H2O)(bipy)2]4·5H2O

水热合成并通过红外、热重、单晶X-射线衍射表征了一个新颖镍配位阳离子修饰的还原型钼磷酸盐,Ni[Mo₆O₁₂(OH)₃(PO₄)(HPO₄)₃]₂][Ni(H₂O)₂][Ni(H₂O)(bipy)₂]₄·5H₂O。单晶X-射线衍射研究表明,两个{Mo₆P₄}簇单元通过一个镍离子连接形成一个Ni[Mo₆P₄]₂二聚结构单元,其进一步和其他的镍配位阳离子连接成钼磷酸盐一维链状结构。在H₂O₂存在下的液－固体系中,使用该化合物催化氧化苯甲醛的探针反应结果表明,该化合物具有较高的催化氧化活性。     

1,1'-联萘化合物的氧化偶联合成

联二萘;不对称合成;氧化偶化;综述;1;1'-联萘化合物的氧化偶联合成     

Hydrothermal Synthesis of Polyoxovanadate-based MOFs Microsphere as Supercapacitor

Polyoxovanadate-based MOFs microsphere electrode material, [Ni_2(4,4?-bipyridine)_3(H_2O)_2V_4O_(12)]·2.5 H_2O, was synthesized through a simple hydrothermal method, and then characterized through FT-IR, XRD and SEM. Electrochemical properties of the sample as supercapacitor electrodes in aqueous electrolyte were developed and studied by cyclic voltammetry, galvanostatic charge-discharge and electrochemical impedance spectroscopy techniques. Results showed that a high specific capacitance of 152.36 F g~(-1) at current density of 1 A g~(-1) in 2 M KOH electrolyte, and 97.62% retention after 2500 charge-discharge cycles at current density of 4 A g~(-1), which is promising for applications in supercapacitors.     

金属有机骨架Ni-BTC和Ni-BDC的溶剂效应形貌调控及超级电容器性能

储能材料的性能在很大程度上取决于它们的结构和形貌。我们使用简单的溶剂热方法,通过改变溶剂合成了不同形貌的Ni-1,3,5-苯三甲酸（Ni-BTC）和Ni-1,4-苯二甲酸（Ni-BDC）金属有机骨架材料。Ni-BTC有不规则块状、球状和八面体3种形貌,Ni-BDC有纳米片状、花状和不规则块状3种形貌。对Ni-BTC和Ni-BDC作为超级电容器电极材料的性能进行了研究。结果表明,通过溶剂热方法,在N,N-二甲基甲酰胺（DMF）溶剂中合成出的Ni-BTC和Ni-BDC电极材料的超级电容器性能要优于乙醇（EtOH）和DMF/EtOH （50：50,V/V）溶剂。     

In situ Alkylation of 4,4''-Bipyridine in Hydrothermal Synthesis of an Iodoplumbate Inorganic-organic Hybrid with Fluorescence

A novel 1-D iodoplumbate hybrid,2(Pb3I9)3-·3(C14H18N2)2+ 1,has been hydrothermally synthesized and characterized by IR spectra,TGA and single-crystal X-ray diffraction.Complex 1 crystallizes in monoclinic,space group P21/c,with a=12.057(2),b=14.024(3),c=24.742(5) ,β=90.48(3)°,V=4183.6(14)3,Z=4,R=0.0477 and wR=0.0800.The title compound consists of 1-D chains(Pb3I9)n3n-parallel to the [100] direction and stacks of alkylated 4,4'-bipyridium cations running along the [011] direction.Each anionic chain is surrounded by six arrays of alkylated 4,4'-bipyridium cations through extensive C-H…I atypical hydrogen-bonding interactions to afford an interesting 3-D supramolecular network.Significant fluorescent property of the compound was observed at room temperature.     

Synthesis and Crystal Structure of K3[HO{VO(O2)2}2]·H2O

The title compound K3[HO{VO(O2)2}2]·H2O has been synthesized and its crystal structure was determined by X-ray diffraction method. The crystal is of monoclinic, space group P21/c with a = 6.7078(3), b = 9.9539(6), c = 15.8182(9)A, β = 93.702(3)0, V = 1053.96(10)A3, Mr = 414.20, Dc = 2.610 g/cm3, Z = 4, λ(MoKα) = 0.71073A, F(000) = 808, μ = 3.014 mm-1, the final R = 0.0173 and wR = 0.0466 for 2178 observed reflections with I > 2σ(I). X-ray diffraction reveals that the coordination polyhedra of V atoms are not chemically equivalent: the V(1) and V(2) polyhedra can be described as pentagonal pyramid and pentagonal bipyramid, respectively.     

CoNi_2S_4 Microspheres Prepared by One-pot Hydrothermal Reaction as Supercapacitor

A microsphere discrete structure of CoNi_2S_4 was prepared through one-pot hydrothermal reaction and characterized by FTIR, XRD and SEM. The as-prepared CoNi_2S_4 served as a supercapacitor, showing a specific capacitance of 1129.5 F/g with over 99% coulombic efficiency at a current density of 4 A/g in 3 M KOH. And after 3000 cycles of charge and discharge tests, 92.3% of its initial capacitance can be still maintained. The results demonstrate that the material is promising as an electrode material for supercapacitors in energy storage.     

Facile Mechanochemical Green Fabrication of CuBr(tu)_3 Nanowires as Electrochemical Supercapacitor Electrodes

CuBr(tu)_3 nanowires(tu: thiourea) was prepared by a facile mechanochemical green method for the first time and their application as electrode for supercapacitors is also studied. The as-prepared CuBr(tu)_3 nanowires show length of around 4 μm and width of 50~60 nm. Those nanowires exhibited high specific capacitance of 1408 F·g~(-1) at a scan rate of 5 mV·s~(-1) and 1683 F·g~(-1) at current density of 10 A·g~(-1) in a 2M KOH electrolyte. This study provides a simple, efficient, and environmental strategy to fabricate novel nanoscale electrode materials constructing metal-organic frameworks.     

Synthesis and Crystal Structure of an Interpentateing 3-D Framework Constructed from Mixed Ligands

A novel organic-inorganic hybrid compound constructed from mixed ligands, Co3（SIP）2（bipy）4（H2O）6·6.5H2O （H3SIP = 5-sulfoisophthalic acid, bipy = 4,4′-bipyridyl）, has been hydrothermally synthesized and characterized by IR, TGA and single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space group P212121 with a = 11.395（2）, b = 19.395（4）, c = 30.675（6） A^°, Mr = 1513.05, V= 6779（2） A^°^3, Dc= 1.482 g/cm^3, F（000） = 3120, μ = 0.873 mm^-1, Z= 4, the final R = 0.0439 and wR = 0.119 for 13421 observed reflections with I〉 2σ（I）. The structure of the compound presents a 3-D framework containing Co-bipy 1-D chain and 2-D bilayer motifs and carboxylate spacers, and the connection of 1-D chain and 2-D bilayer motifs by carboxylate ligand results in the final open framework with twofold interpenetration net. A probe reaction of the oxidation of benzaldehyde with H2O2 using the title compound as catalyst was carded out in a liquid-solid system, showing that the compound has high oxidative catalytic activity to the reaction.     

Ti-48Al-2M~1-2M~2(M~1=Nb,V;M~2=Mn,Cr,V)合金电子结构

用紧束缚能带计算方法(EHT)研究了标题多元合金的能带及电子结构。发现少量的多种元素在γ-TiAl中掺杂,对合金中电荷分布的影响,具有单种元素掺杂的叠加性;选择适当的合金元素就能达到多种掺杂的性能互补。多种元素掺杂能更有效地使成键电子云趋势于球形化,Peierls力均称为化,有利于增加γ-TiAl合金的塑性和变形性。