三维银配位聚合物晶体结构及性质研究

目的基于多功能配体2,2’-联吡啶-3,3’-二甲酸合成其银的配位聚合物{[Ag4(L)2.(H2O)].3(H2O)}n(1)(其中L=2,2’-联吡啶-3,3’-二甲酸),并对其性质进行研究。方法使用水热法合成该配位聚合物,采用X-射线单晶衍射测定其结构,并对其进行了红外光谱及元素分析。结果结构研究发现配合物1为3D金属有机框架结构,属正交晶系,空间群为Pbcn,a=13.889(4),b=13.470(4),c=13.852(4),α=90°,β=90°,γ=90°。结论配合物的每个不对称结构单元中包含2个晶体学独立的Ag(I)原子,1个配体L,0.5个配位水分子和1.5个游离水分子。每个配体通过桥联了6个不同的Ag(I)原子构筑了一例具有三维框架结构的配位聚合物。     

乙二胺N,N-二(4-乙酰胺苯甲酸)-二乙酸配合物合成、表征与性能研究

通过乙二胺四乙酸二酐与对氨基苯甲酸的酰化反应合成了乙二胺N,N-二(4-乙酰胺苯甲酸)二乙酸(H4L),并以此为配体分别与稀土离子Sm3+、Gd3+、Eu3+和过渡金属离子Mn2+、Fe3+组装得到系列配合物.用红外光谱、紫外-可见光谱、元素分析及热重-差热分析对配合物进行了组成与结构的表征,配合物的组成可表示为M(HL)?3H2O（M=Sm3+, Eu3+,Gd3+,Fe3+）或者M(H2L)?3H2O（M=Mn2+）.配合物Gd(HL) ?3H2O的荧光发射光谱中没有离子特征谱图,而配合物Eu(HL)?3H2O在618nm处5D07F3跃迁的发射峰最强.配合物Gd(HL)?3H2O的弛豫率为7.43mmol/(L?s),体外弛豫性能明显提高.     

具有不同配位环境的Cu(Ⅱ)配合物的合成、结构及光伏性能

采用水热方法合成了3个Cu(Ⅱ)配合物:[Cu2(tol)4(C2H5OH)2](1),[Cu(pzc)2]·4H2O(2),[Cu(bpdc)(Imh)2(H2O)]·2H2O(3)(Htol=对甲基苯甲酸,H2pzc=吡嗪-2-甲酸,H2bpdc=2,2′-联吡啶-4,4′-二甲酸,Imh=咪唑).采用X射线单晶衍射、电子吸收光谱、FT-IR光谱和表面光电压光谱(SPS),进行了表征和物性测定.结构分析表明,3个配合物的中心Cu(Ⅱ)离子呈现不同的配位微环境(依次为五、四和五配位);晶体中分子间氢键将结构单元分别连接成了具有1D、3D和2D结构的配位超分子.SPS测定结果表明:3个配合物在可见光诱导下均呈现出明显的表面光电子行为.并且,中心金属离子周围配位微环境的变化对这种光电子行为有明显影响.     

双核锌配合物的合成和结构表征

利用硝酸锌和邻-氨基对苯二甲酸在DMSO溶液中反应,合成配合物{[Zn (NH2-bdc)(H2O)]·3(DMSO)·H2O}n(NH2-bdc=邻-氨基对苯二甲酸),并对其进行元素分析和X单晶射线的表征.配合物属正交晶系,空间群为Ibam,晶体学参数:a = 10.9472(4) ,b= 18.7371(7) ,c = 21.7559(9) ,V=4462.5(3)  3,Z=8.该配合物中,锌离子为5配位,2个Zn原子和4个羧基形成的双核锌结构单元(SBU),进而形成二维方格式平面结构,氨基取代基导致配合物具有亲水性.     

水杨醛与丙二胺缩合而成的Schiff碱与过渡金属形成的10个配合物的合成与结构分析

本文合成了10个新的过渡金属配合物,[MnL].H2O(1),[CuL].H2O(2),[Cu4L2Cl4](3),[Mn4L2Cl4](4),[CrL(H2O)2](NO3)(5),[Cd2L'2(CH3OH)2(NO3)2](6),[NiL]3(sal).2H2O(7),[CoL(H2O)2]2.4H2O(8),[CoL'2](C104)(9)和[(UO2)L(CH3OH)]2(10).通过元素分析和单晶X-射线结构分析准确确定了所有这些新化合物的分子结构.     

1H-吲唑-3-羧酸4,4’-联吡啶钴配合物的合成与表征

采用1H-吲唑-3-羧酸(HL)、4,4’-联吡啶(Bpy)及六水氯化钴(CoCl2·6H2O),以水热合成的方法,合成设计了一种新型的吲唑羧酸合钴的配合物(1)[Co(L)2(Bpy)]n·4nH2O,通过X-射线单晶衍射仪,热重分析仪,场发射扫描电镜,红外光谱仪及电化学工作站等表征手段对配合物(1)的晶体结构及性质进行了研究.     

二维配位聚合物[Ni(C8H6NO4)2(H2O)2]n·2nH2O的合成和晶体结构

在N,N-二甲基甲酰胺／水混合溶剂中,5-氨基间苯二甲酸与六水氯化镍通过溶剂／水热反应得到了二维的配位聚合物单晶[Ni(C8H6NO4)2(H2O)2]n·2nH2O;添加水杨醛有助于得到较大的单晶.X-射线单晶衍射分析表明,标题配合物属于单斜晶系,C2／c空间群,晶胞参数为a=14.195(3)(A),b=11.150 (2)(A),c=12.578(3)(A),β=113.52 (3)°,V=1825.5 (6)(A)3,Z=4,Dc=1.787g.cm-3,μ=1.14 mm-1,F(000)=1016.在配合物中,Ni(Ⅱ)为六配位的八面体构型;5-氨基间苯二甲酸只有一个氨基氮原子和一个脱去质子的羧酸氧原子与Ni(Ⅱ)配位,其另一个羧酸保持质子化形式不参与配位.红外光谱分析进一步证实了配体的配位模式.     

基于邻菲啰啉衍生物构筑的钴(Ⅱ)配合物[Co(L)2(HL)]·4H2O的合成和晶体结构

通过水热方法合成得到了一种新的钴(Ⅱ)配合物[Co(L)2(HL)]·4H2O(1)(HL=2-(2-氯-6-氟苯基)-1H-咪唑[4,5-f][1,10]邻菲罗啉),并对该配合物进行了元素分析和单晶X射线表征.该配合物属于三斜晶系,空间群P1,晶胞参数a=1.1038(2)nm,b=1.5374(3)nm,c=1.5...     

4-氨基-1,2,4-三唑-5-酮银配合物的制备与表征

目的研究4-氨基-1，2，4-三唑-5-酮银配合物的合成方法。方法用4-氨基-1，2，4-三唑-5-酮(ATO)水溶液与硝酸银溶液反应合成制得。结果得到灰白色固体粉末状配合物，并对其进行了分析鉴定和表征，推测其结构为[Ag(C2H4N4O)(H2O)]NO3。结论反应条件温和，生成了新物质。     

[VO2(C12H7N2O4)·H2O]的合成与晶体结构

在水热条件下,以4,4'-联吡啶-2,2',6,6'-四羧酸(H4L)、NH4VO3和MnCl2·4H2O为原料,合成一个单核钒配合物[VO2(H2L')·H2O],其中配体(H4L)发生脱羧作用生成新配体4,4'-联吡啶-2,6一二羧酸(H2L').对配合物进行红外光谱、元素分析和单品X-射线衍射分析表明:配合物属单斜晶系,空间群为C2/c,晶胞参数为:α=0.858 7(10)nm,b=1.545 5(2)nm,c=0.999 6(13)nm;β=91.905(2)°.V(V)离子为五配位,处于畸变的三角双锥体配位环境中,配位原子分别是来自一个[HL']一配体的一个吡啶氮原子和两个羧基氧原子、另外两个氧原子来自[VO°]+.配合物通过氢键作用形成二维网状结构.     

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.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

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