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.     

溶胶-凝胶法合成LiAl0.1Mn1．9O4及其电化学性能

通过溶胶-凝胶法合成LiAl0.1Mn1.9O4，XRD的结果表明掺杂少量的铝后并没有改变晶体的结构。利用恒流充放电测试手段比较研究了尖晶石型的LiAl0.1Mn1.9O4，XRD铝的掺杂后的LiAl0.1Mn1.9O4，XRD比没有掺杂的LiMn2O4更好的可逆性能，更好的循环性能。     

超临界流体干燥制备纳米MnxOy

以硝酸锰和氨水为主要原料，用“溶胶-凝胶”法结合“超临界流体干燥”技术制备纳米MnxOy气凝胶，在800℃下煅烧MnxOy气凝胶，用XRD和TEM进行表征，重点考察超临界干燥、煅烧工艺对MnxOy气凝胶晶态、形貌和尺寸的影响。结果表明，采用超临界干燥，可制得分散性好的疏松棕黑色Mn3O4球形颗粒，其粒径介于10～30hm之间；在800℃下热处理，Mn3O4球形颗粒进一步氧化转变为米粒状Mn2O3颗粒，粒径也相应增大。     

Cr--MnOx/TiO2--ZrO2低温选择催化还原NO的活性及抗毒性能

采用溶胶凝胶法制备TiO2-ZrO2载体,然后采用柠檬酸溶液浸渍法制备Cr-MnOx/TiO2-ZrO2复合催化剂.通过X射线衍射、比表面积测试( BET)、扫描电镜、X射线光电子能谱等测试方法对催化剂的物化性能进行表征分析,并进行NH3选择性催化还原NO实验,考察催化剂在低温下的活性及抗硫抗水性能. Cr元素介入到MnOx 中,形成了新型的CrMn1.5 O4活性物相,其中的Mn元素多以Mn3+和Mn4+存在.高价态的Cr5+使Mn元素由Mn3+向高氧化态的Mn4+转化,有利于低温选择性催化还原反应的进行.鉴于Cr元素第一电离能和电负性均低于Mn元素,能优先于Mn与SO2-4和SO2-3结合,保护MnOx 不被硫酸化,从而提高Cr-MnOx/TiO2-ZrO2催化剂的抗毒性能.制备的五种不同Cr/(Cr+Mn)摩尔比的催化剂中,Cr(0.4)-MnOx/TiO2-ZrO2的性能最优,其颗粒分散均匀,具有较大比表面积,在180℃时脱硝效率能够达到95.8%,同时通入5% H2 O和10-4 SO2,脱硝效率缓慢下降,反应8 h后,下降到73%,并保持稳定.     

Mn（Ⅱ）与1，1，4，7，10，10—六（2′—甲基苯并咪唑基）三乙四胺的多核配合物的合成和表征

合成了3种新的锰（Ⅱ）的多核配合物，分别为Mn3(L)Cl6·12H2O（I），Mn2（L）Cl4·8H2O（Ⅱ）和Mn2(L)(NO3)4·9H2O（Ⅲ），其中L为1，1，4，7，10，10-六-（2′-甲基苯并咪唑基）三乙四胺（TTHB），由三乙四胺六乙酸与邻苯二胺共热缩合而得，根据配合物的摩尔电导，红外光谱，电子光谱和顺磁共振及元素分析，推测配合物中Mn（Ⅱ）的配位环境为四方锥或变形八面体。     

Mn_3O_4/CNTs正极材料的制备及其电化学性能研究

针对水系镁离子电池正极材料循环不稳定及电化学性能差的问题,采用Mn3O4作为水系镁离子电池正极材料,通过简单的溶液共沉淀法将Mn3O4与碳纳米管(CNTs)原位复合形成Mn3O4/CNTs。经X射线粉末衍射仪(X-ray diffractometer, XRD)、扫描电子显微镜(scanning electron microscopy, SEM)、通射电子显微镜(transmission electron microscopy,TEM)和循环伏安(cyclic voltammetry,CV)及充放电测试等表征,结果表明CNTs表面均匀附着尖晶石型Mn3O4纳米颗粒,提高了Mn3O4电极的导电性和电化学性能。Mn3O4/CNTs正极材料在100 m A/g下表现出305 mAh/g的比容量及长循环寿命,远高于Mn3O4的电池性能。Mn3O4/CNTs材料作为水系镁离子电池正极材料具有潜在的应用价值。     

LiBi0.01Ce0.03Mn1.96O4的合成和表征

通过共沉淀法合成同时掺杂铈及铋的锂锰氧化物LiBi0.01 Ce0.03Mn1.96O4,并用TG-DSC,XRD,SEM和FT-IR对其进行了分解温度,物相和显微结构等表征.结果表明适当的条件所合成的LiBi0.01 Ce0.03 Mn1.96O4具有与母体LiMn2O4同样完整的晶型和单一物相.     

溶胶凝胶法制备纳米级锂离子电池正极材料LiCrxMn2-xO4

通过溶胶凝胶法低温下合成了 Cr与 Mn不同计量比的一系列正极材料 Li Crx Mn2 -x O4 ,并用 DTA,TGA,TEM,XRD,FT- IR对其形貌及其结构进行了表征 .结果表明采用该方法在4 5 0℃的低温下即可得到纯相的 L i Crx Mn2 -x O4 尖晶石 ,其平均粒径均为 80 nm左右 ,且分布均匀     

取代基和配体的负离子效应对(TPFC)Mn(V)O轴向配位作用的影响

采用密度泛函理论(DFT)的BP86方法对系列位取代的锰(Ⅴ)-氧咔咯((TPFC)MnⅤO)配合物与咪唑的轴向配位作用，以及无位取代的(TPFC)MnⅤO与轴向配体4-甲基咪唑和吡咯的轴向配位性质进行理论研究。计算结果显示位取代基吸电子性质和轴向配体负离子效应均能缩短配位键长并增大结合能，显著增强(TPFC)MnⅤO配合物轴向配位作用。通过自然键轨道(NBO)分析发现影响其轴向配位作用的主要因素是轴向配体上氮原子的孤对电子轨道LP(N)与锰原子的孤对电子轨道LP(Mn,4s)和锰氧反键轨道*(MnO)间的二级微扰稳定化能E(2)，取代基吸电子效应和轴向配体负离子效应均能导致E(2)值增大，显著增强(TPFC)MnⅤO的轴向配位作用。     

多元掺杂尖晶石锰酸锂LiCo0.02La0.01Mn1.97O3.98Cl0.02的电化学性质研究

采用高温固相浸渍法合成了多元复合掺杂的尖晶石锰酸锂正极材料LiCo0.02La0.01Mn1.97O3.98Cl0.02.采用X衍射分析仪、扫描电镜、马尔文激光粒径分析仪、电化学工作站以及充放电分析仪等设备表征了材料的电化学性能与特性.XRD表明所合成的材料具有良好的尖晶石型结构特征,所掺杂是元素Co,La分别占据了元素Mn的位置,元素Cl占据了元素O的位置.合成材料LiCo0.02La0.01Mn1.97O3.98Cl0.02比材料LiMn2O4有更好的电化学特性,150次循环后的比容量保持率在91.7%.     

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     

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

正~~