La(C15H11N2O4)(C15H10N2O4)·2H2O配合物的制备、表征和热化学性质

采用三种不同的方法,用邻羧基苯甲醛水杨酰腙与硝酸镧反应,制得新型稀土镧配合物,经元素分析、化学分析并且结合热分析确定了其组成为La(C15H11N2O4)(C15H10N2O4)·2H2O.利用摩尔电导测定、红外光谱、氢谱等手段推测了配合物的结构.根据TG-DTG曲线研究了配合物的热分解过程.     

三(2-甲基苯并咪唑)-锰配合物的合成、表征及对催化H2O2岐化反应活性的增强作用

在乙醇溶剂中,通过Mn(Ⅱ)盐与N,N,N-三(2-甲基苯并咪唑)胺(NTB)反应合成了[Mn(NTB)(Im)]Cl2、[Mn2(NTB)2(H2NCONH2)]Cl4*3H2O、[Mn(NTB)(NO3)](NO3)*3H2O和[Mn(NTB)(HO-phen-OH)]Cl2 4种新配合物,并运用元素分析、摩尔电导、红外光谱和紫外光谱进行了表征.研究了配合物对H2O2岐化反应的催化活性,以及对过氧化氢模拟酶[Fe(NTB)Cl2]Cl*3H2O对H2O2岐化反应活性的影响.实验表明,所合成的锰配合物具有明显的活性增强作用.     

锰过氧化氢酶模拟物的合成、表征及催化活性

为探讨过氧化氢酶(CAT)的催化机理,并对其进行应用体系的基础研究,利用二价锰盐与N,N,N-三(2-苯并咪唑甲基)胺(NTB)反应,制备得到了配合物[Mn(NTB)Cl]Cl·2H2O(Ⅰ) 和[Mn(NTB)(NO3)](NO3)*3H2O (Ⅱ). 利用元素分析、电导率、NMR、IR和UV-Vis对锰配合物进行了表征. 测试了MnCAT以及它们与FeCAT组成的二元体系对H2O2歧化反应的催化活性.结果表明:锰的2种配合物对H2O2歧化反应没有催化活性,而二元体系中锰配合物的存在可以明显提高FeCAT对H2O2歧化反应的催化活性.     

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.     

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.     

配合物[Ni(IDB)2]·(C2O4)·CH3CH2OH·7H2O的合成、表征和性质

报道含三齿配体N,N二-(2-苯并咪唑甲基)亚胺(简写为IDB)的配合物[Ni(IDB)2].(C2O4).CH3CH2OH.7H2O(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。推测配合物中镍离子(Ⅱ)为六配位的八面体结构。该配合物或许可作为脲酶的模型化合物。     

两个含2-(2-吡啶基)苯并咪唑的镍(Ⅱ)配合物的合成、晶体结构及表征

以氯化镍、2-(2-吡啶基)苯并咪唑为原料在酸性条件下通过自然挥发法自组装成新型的配合物[Ni(PBIm)2Cl2H2O]·(C2H5OH)(H2O)1;相同的原料通过水热法自组装成新型的配合物[Ni(PBIm)Cl2(CH3CH2OH)]22(PBIm=2-(2-吡啶基)苯并咪唑).用X射线单晶衍射确定其配合物的结构,结构分析结果表明,配合物1属于三斜晶系,Pī空间群,配合物2属于单斜晶系,P21/c空间群,两个配合物都能通过氢键的作用形成一维链状结构.并对其荧光及热稳定进行了表征,结果表明,配合物2比配合物1的热稳定性好且荧光强度高.     

N,N-二苄基-L-谷氨酸及其金属配合物的合成、表征及生物活性

以L-谷氨酸为原料合成了N,N-二苄基-L-谷氨酸（H2bbga）,并对其进行了红外光谱、紫外光谱、核磁共振表征.通过N,N-二苄基-L-谷氨酸与MgCl2.6H2O、Ca（OH）2、MnCl2.4H2O、NiCl2.6H2O、CoCl2.6H2O、CuCl2.2H2O和ZnCl2反应,分别合成得到了相应的金属配合物.用比色法测试了N,N-二苄基-L-谷氨酸及7种金属配合物对三磷酸腺苷二钠分解的催化活性,结果表明：N,N-二苄基-L-谷氨酸与镁、钙和锰形成的配合物对三磷酸腺苷二钠的分解反应具有较好的活性.     

二乙酰丙酮桥联双核铜(Ⅱ)配合物的合成,EPR谱与热分析

以高氯酸铜、二苯甲酰甲烷、二乙酰丙酮为原料合成了新型固态三元配合物[Cu2(C10H12O4)(C15H11O2)2,并用元素分析、电导率、红外光谱、电子光谱和电喷雾质谱对其进行了表征,确定了配合物的组成,研究了配合物在氮气气氛中的热分解行为.对配合物测量了室温固体电子顺磁共振谱,定性探讨了配合物的电子结构,得到了其波谱参数(g=2.0892).     

含Ni(Ⅱ)配合物晶体结构和表面光电性能

采用水热和常规方法合成了2种Ni的配合物[Ni(phen)2(C6H5COO)].(NO3).2(C6H5COOH)(1)和[Ni(H2O)6].2HSO4.C2H8N2(2).通过X射线单晶衍射、红外光谱(IR)、紫外可见吸收光谱(UV-Vis)及表面光电压光谱(SPS)等方法对配合物进行了表征.结果表明:配合物(1)、(2)在分子内和分子之间存在大量氢键,使其连接成具有3D网络结构的配位超分子.重点研究了配合物的SPS光谱,并与其相应的UV-Vis吸收光谱进行了对照,两者呈现了较好的对应关系.     

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