双核钴(Ⅱ)配合物的合成、表征和性种

合成了八齿配体1,1,4,7,7-五(2'-苯并咪唑甲基)-二乙基三胺(DTPB)及其双核钴配合物[Co2(DTPB)(NO3)2](NO3)2·2H2O,通过元素分析、摩尔电导、紫外一可见光谱、红外光谱和循环伏安对其进行了表征,并且测试了配合物催化邻苯二酚的活性.     

双核镍配合物〔Ni_2(DTPB)(C_2O_4)〕·(ClO_4)_2·CH_3CH_2OH·2H_2O的合成、表征和性质

报道了八齿配体N,N,N′,N",N"-五(2-苯并咪唑甲基)-二乙三胺(简写为DTPB)及其含镍双核配合物〔Ni2(DTPB)(C2O4)〕·(ClO4)2·CH3CH2OH·2H2O( )的合成.对( )进行了元素分析、摩尔电导、紫外、可见光谱、红外光谱、自旋共振谱和循环伏安研究.推测配合物中每个镍离子( )为六配位的八面体结构.     

双核镍配合物[Ni2(DTPB)(C2O4)]·(ClO4)2·CH3CH2OH·2H2O 的合成、表征和性质

报道了八齿配体N,N,N′,N″,N″-五(2-苯并咪唑甲基)-二乙三胺(简写为DTPB)及其含镍双核配合物[Ni2(DTPB)(C2O4)]·(ClO4)2·CH3CH2OH·2H2O(Ⅰ)的合成.对(Ⅰ)进行了元素分析、摩尔电导、紫外、可见光谱、红外光谱、自旋共振谱和循环伏安研究.推测配合物中每个镍离子(Ⅱ)为六配位的八面体结构.     

双核镍（Ⅱ）配合物的合成、表征和性质

报道了八齿配体 N,N,N′,N″,N″——五 (2 -苯并咪唑甲基 )——二乙三胺 (简写为 DTPB)及其含镍双核配合物〔Ni2 (DTPB) (Cl O4 ) 2 〕· (Cl O4 ) 2 · 3 CH3 CH2 OH( )的合成。对 ( )进行了元素分析、摩尔电导、紫外——可见光谱、红外光谱、自旋共振谱和循环伏安研究。推测配合物中每个镍离子 ( )为六配位的八面体结构     

吡啶-3-甲醛双缩硫代对称二氨基脲席夫碱-邻菲咯啉配合物的合成及其生物活性研究

研究合成了Schiff碱吡啶-3-甲醛双缩硫代对称二氨基脲(HL)及其与Pb(NO3)2、Bi(NO3)的配合物,通过元素分析、红外光谱和紫外光谱对配体和配合物进行了表征,测试了配体和配合物的生物活性.     

双核铁硫和钼铁硫配合物的电子结构研究

本文应用SCC—EHMO方法研究了3个含桥硫双金属配合物[Fe_2S_2(NO)_1]~(2-)、[(NO)_2FeS_2MoS_2]~(2-)和[Cl_2FeS_2MoS_2]~(2-)的电子结构。根据计算所得的分子轨道能级、特征和Mulliken重叠集居等数据,对其成键性质进行了详细的分析。探讨了桥硫及端基配体对形成配合物的重要作用以及对金属—金属间相互作用的影响。     

多吡啶配合物[Zn（4，4′-bpy）（CH3COO）（NO3）]n和[Y（bpy）2]（NO3）3的合成、表征和晶体结构

通过自组装制得 [Zn(4,4′- bpy) (CH3COO) (NO3) ]n(配合物 1)和 [Y(bpy) 2 ](NO3) 3(配合物 2 ) .其中 ,4 ,4′-bpy为 4 ,4′-联吡啶 ,bpy为 2 ,2′-联吡啶 .对配合物进行了 X-射线衍射结构表征 .配合物 1是聚合物 ,锌离子为 6配位 ,4 ,4′-联吡啶作为双齿桥联配体使配合物呈线性一维链 ,而醋酸根作为双齿桥联配体和链间的 π- π堆积作用 ,又使配合物形成一维网状的结构 .配合物 2中 Y( )是 10配位 ,2个 2 ,2′-联吡啶各提供 2个氮原子 ,3个硝酸根各提供 2个氧原子参与配位 .     

含氮配体构筑的Pb(Ⅱ)和Cd(Ⅱ)配合物的合成与结构研究

采用溶液合成方法,合成出2种新颖的铅和镉配合物[Pb(bipy) (NO3)(H2O)]·NO3(1)和[Cd(phen)2 (NO3)2](2)(phen=1,10-邻菲啰啉,bipy=2,2′-联吡啶).对它们进行了元素分析、红外光谱表征,并通过X射线单晶衍射测定了配合物的单晶结构.X射线单晶结构解析表明:配合物1属单斜晶系,P2(1)/n空间群,中心金属Pb(Ⅱ)为4配位;配合物2也属单斜晶系,Cc空间群,中心金属Cd(Ⅱ)为6配位;配合物1通过分子间氢键形成2D层状结构,而配合物2通过分子间氢键连接形成3D超分子结构.     

稀土-1,10-菲啰啉配合物的热分解动力学研究

在乙醇-水混合体系中合成了1,10-菲啰啉(phen)的三种稀土配合物Nd(phen)(CH3COO)2(NO3)(1),Eu(phen)2(NO3)3(2),Ho(phen)2(NO3)3(3).采用TG-DTG和DTA技术研究了配合物在静态氮气中的热分解过程,并用Achar法和Coats-Redfern法对各配合物的非等温热力学数据进行了分析,推断出各反应的热分解反应机理及热分解反应动力学方程式,计算出了其表观活化能(E)和指前因子的对数值(lnA).     

稀土配合物Nd(C5H8NO3)2(C3H5N2)2Cl3·4H2O的合成、表征及性能研究

合成了稀土氯化钕与N-乙酰-DL-丙氨酸(C5H9NO3,Ac-Ala)及咪唑(C3H4N2,Im)的三元配合物,通过元素分析和化学分析确定其化学组成为Nd(C5H8NO3)2(C3H5N2)2Cl3*4H2O,并通过FTIR、UV、1H NMR、13C NMR和X-射线粉末衍射的等手段对目标配合物的结构进行了表征.根据DSC和TG-DTG曲线研究了配合物的热分解过程.配合物水溶液的荧光性质测试表示,形成配合物后,配合物水溶液发生了荧光淬灭现象,在10-2～10-4 mol/L浓度范围内荧光强度与溶液浓度呈正相关.     

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