双帽Keggin结构化合物[(CH3)4N]3H6[AsV12O40(VO)2]光化学合成与表征

用450 W高压汞灯照射VO34-/MeOH/AsO43-,利用光化学反应合成了杂多钒酸盐[(CH3)4N]3H6[AsV12O40(VO)2].用红外光谱、紫外可见光谱对其进行了表征,并采用四圆衍射测定了其晶体结构.结果表明:该化合物属于单斜晶系,P2(1)空间群;晶胞参数a=1.110 5 nm,b=1.974 70 nm,c=1.141 78 nm,α=γ=90.00°,β=93.104 0(10)°,V=2.501nm3,Z=2.该化合物中的Keggin结构[AsV12O40(VO)2]9-中含有两个[VO]帽,且通过超分子作用形成了三维超分子结构.     

Keggin型多金属氧酸盐[Fe(phen)3]2[GeMoⅥ8 MoⅤ4O40]·0.5H2O的水热合成、晶体结构及电化学研究

用锗钼酸做原料,在水热条件下合成了一种新型Keggin型杂多酸衍生物[Fe(phen)3]2[GeMoⅥ8MoⅤ4O40] ·0.5H2O.该化合物属于三斜晶系:空间群为Pī;晶胞参数a=1.216 0(2) nm,b=1.367 6(3) nm,c=1.462 7(3) nm,α=105.05(3)°,β=109.64(3)°,γ=93.07(3)°,V=2.185 6(7) nm3,Z=2,F(000)=1476,R1=0.068 8,wR2=0.187 5.同时,又将该化合物修饰到电极上,研究了其电化学行为.     

Keggin型多金属氧酸盐[Fe(phen)_3]_2[GeMo_8~ⅥMo_4~ⅤO_(40)]·0.5H_2O的水热合成、晶体结构及电化学研究

用锗钼酸做原料,在水热条件下合成了一种新型Keggin型杂多酸衍生物[Fe(phen)3]2[GeMo8ⅥMo4ⅤO40].0.5H2O.该化合物属于三斜晶系:空间群为Pī;晶胞参数a=1.216 0(2)nm,b=1.367 6(3)nm,c=1.462 7(3)nm,α=105.05(3)°,β=109.64(3)°,γ=93.07(3)°,V=2.185 6(7)nm3,Z=2,F(000)=1476,R1=0.068 8,wR2=0.187 5.同时,又将该化合物修饰到电极上,研究了其电化学行为.     

配合物[CuⅡ(phen)2(CN)][CuⅠ(phen)(CN)2]·5H2O的合成与晶体结构

用CuC l2与邻菲口罗啉、K4[M o4T e4(CN)12].11H2O反应得到化合物[CuⅡ(phen)2(CN)][CuⅠ(phen)(CN)2].5H2O,对其进行了X-R ay射线晶体结构测定,表明化合物属三斜晶系、P-1空间群,晶胞参数为:a=11.656(2),b=12.238(2),c=15.148(3),α=105.96(3),°β=102.84(3),°γ=107.01(3).°Z=2,R=0.0530,wR2=0.1097.     

无机-有机杂化钼磷、钒钼磷多酸化合物的合成与结构

通过对V2 O5 ,Na2 MoO4·2H2 O ,HF ,Ni(NO3) 2 ·6H2 O ,H3PO4和吡啶体系水热反应的研究 ,合成并表征了无机 -有机杂多酸化合物 [C5 H6 N] 3[C5 H5 N][PMo12 O40 ] ( 1 ) ,[C5 H6 N] 4[PVMo11O40 ] ( 2 )和 [C5 H6 N] 4[HPV2 Mo10 O40 ] ( 3 ) .化合物( 1 )属单斜晶系 ,C/ 2c空间群 ,a =2 .1 867( 6)nm ,b =1 .3 978( 4)nm ,c =1 .663 3( 3 )nm ,β =1 0 5.73 ( 1 0 )°,V =4 .893nm3,R =0 .0 60 4 ,Z =4 ;化合物 ( 2 )属单斜晶系 ,C/ 2c空间群 ,a =2 .1 858( 4)nm ,b =1 .3 971 ( 3 )nm ,c =1 .663 5( 3 )nm ,β =1 0 5.83 ( 3 )°,V =4 .8873 ( 1 7)nm3,Z =4 ,R =0 .0 4 63 ;化合物 ( 3 )属单斜晶系 ,P2 1n空间群 ,a =1 .1 1 2 2 ( 2 )nm ,b =1 .94 1 2 ( 3 )nm ,c=1 .2 4 84 ( 3 )nm ,β =99.89( 3 )°,V =2 .6565( 9)nm3,Z =2 ,R =0 .0 690 .     

[Cd(phen)3]2[PMoⅤ Mo11ⅥO40]和H3O[Co(phen)3]2[PMo2Ⅴ Mo10ⅥO40]的合成与晶体结构

用中温水热技术合成了2种Keggin型钼磷多金属氧酸盐[CA(phen)3]2[PMoⅤMo11ⅥO40](Ⅰ)和H3O[Co(phen)3][PMo2ⅤMo10ⅥO40](Ⅱ).通过元素分析、红外光谱、X射线单晶衍射对其进行了表征.结果表明:2种化合物均属于三斜晶系,P-1空间群;化合物Ⅰ的晶胞参数a=1.200 5(2)nin,b=1.327 8(3)nm,c=1.356 7(3)nm,α=103.56(3)°,β=91.37(3)°,γ=97.72(3)°,V=2.079 8(7)nm3,Z=1,R1=0.044 2,ωR2=0.140 3;化合物Ⅱ的晶胞参数a=1.207 9(2)nm,b=1.380 4(3)nm,c=1.442 1(3)nm,α=104.81(3)°,β=109.63(3)°,γ=93.13(3)°,V=2.163 3(8)nm3,Z=1,R1=0.071 7,ωR2=0.234 1.     

同多钒酸盐[Zn(phen)2]2[V4O12]·3H2O的水热合成及晶体结构

利用水热合成方法合成了组成为[Zn(phen)2]2[V4O12]*3H2O的化合物,它以V4O4-12和Zn(phen)2+2形成的六核簇为结构单元且通过氢键作用而形成超分子体系. 晶体结构数据如下三斜晶系,空间群Pī,a = 1.029(2)nm, b = 1.111(2)nm, c = 1.327(3) nm,α = 105.36(3)°,β = 92.01(3)°,γ = 108.79(3)°, V =1.372(5)nm3, Z = 1, Dcalc= 1.575 g*cm-3,F(000) = 2 577, R1= 0.078 0, wR2= 0.175 4.     

含能配合物M(ATZ)(phen)2·nH2O液相生成反应的热动力学研究

目的 合成偶氮四唑的固态配合物,研究其液相生成反应的热动力学.方法 用RD496-CK2 000微热量计测定其液相生成反应焓变.结果 制备了6种固态含能配合物M(ATZ)(phen)2·nH2O(M=Mn,n=5;M=Co,Ni,n=2;M=Cu,Pb,n=1;M=Zn,n=3;ATZ=5,5'-偶氮四唑,phen=1,10.邻菲啰啉),计算出了它们的液相生成反应的热动力学参数.结论 反应条件温和,其液相生成反应焓变均为负值,有利于常温反应.     

一种基于同多钼酸盐支撑化合物{[Zn(phen)2]2(γ-Mo8O26)}的合成及其结构表征

本文采用非水热法合成了一个基于同多钼酸盐支撑的化合物{[Zn(phen)2]2(γ-Mo8O26)}(phen=1,10-phenanthroline),并采用红外光谱、热重分析以及单晶X射线衍射等方法对此化合物进行了表征.结果表明,目标化合物{[Zn(phen)2]2(γ-Mo8O26)}中包含一个[γ-Mo8O26]4-阴离子基团与两个[Zn(phen)2]2+配位单元;该化合物通过C-H···O氢键把phen和[γ-Mo8O26]4-阴离子紧紧连接起来,形成了一个三维的超分子结构.     

一种基于同多钼酸盐支撑化合物{[Zn（phen）2]2(γ-Mo8O26)}的合成及其结构表征

本文采用非水热法合成了一个基于同多钼酸盐支撑的化合物{[Zn(phen)2]2(γ-Mo8O26)}(phen=1,10-phenanthroline),并采用红外光谱、热重分析以及单晶X射线衍射等方法对此化合物进行了表征。结果表明,目标化合物{[Zn(phen)2]2(γ-Mo8O26)}中包含一个[γ-Mo8O26]4-阴离子基团与两个[Zn(phen)2]2+配位单元;该化合物通过C-H...O氢键把phen和[γ-Mo8O26]4-阴离子紧紧连接起来,形成了一个三维的超分子结构。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

An affordable accurate evaluation of the binding conformations predicted by molecular docking studies in bio-system

Franck-Condon factors bridge the gap between theoretical modeling and experimental observations for molecular electronic spectroscopy and electron transfer.Under the displaced harmonic oscillator approximation,multidimensional Franck-Condon factors are decomposed into a product of many one-dimensional(1D)Franck-Condon(FC)factors,and each 1D-FC factor is associated with one Huang-Rhys factor that determines the leading contribution of     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with     

Journal of Donghua University ( English Edition) Contents of Volume 31

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