稀土金属镱及钇苦味酸盐与苯并15冠5配合物的晶体和分子结构

标题化合物Ｙｂ（Ｐｉ）＿３（Ｂｌ５Ｃ５）＿２·２Ｈ＿２Ｏ·ＣＨ＿３ＣＮ（Ｉ）及Ｙ（Ｐｉ）＿３（Ｂｌ５Ｃ５）＿２·２Ｈ＿２Ｏ·ＣＨ＿３ＣＮ（Ⅱ）为同晶结构，均为３斜晶系，空间群为Ｐ－对晶体（Ｉ），ａ＝１２．７５３（１）Ａ，ｂ＝１３．８１０（２）Ａ．ｃ＝１９．６０９（２）Ａ，α＝８１．３７（３）°，β＝７１．５８（３）°，γ＝７０．７１（２）°，Ｚ＝２．Ｄ＿ｃ＝１．４６８ｇ·ｃｍ￣（－３），μ＝１５．９２８ｃｍ￣（－１）（ＭｏＫα），Ｍ＿ｒ＝１４７１，０４，Ｆ（０００）＝７４５，Ｒ＝０．０３１，Ｒ＿ｗ＝０．０３９；对晶体（Ⅱ），α＝１２．７８５（１）Ａ，ｂ＝１３．８５０（３）Ａ，ｃ＝１９．５７１（２）Ａ，α＝８１．０５（３）°，β＝７０．９２（２）°，γ＝７０．６２（３）°，Ｚ＝２，Ｄｃ＝ｌ．４８５ｇ·ｃｍ￣（－３），μ＝１０．４４１ｃｍ￣（－１）（ＭｏＫα），Ｍ＿ｒ＝１３８６．９ｌ，Ｆ（０００）＝７ｌ４，Ｒ＝０．０６５，Ｒ＿ｗ＝０．０７８．测定结果表明，中心稀土离子Ｙｂ￣（３＋）（或Ｙ￣（３＋）直接与３个苦味酸阴离子和２个水分子配位，此水化镱（或钇）苦味酸盐通过水桥氢键与冠醚Ｂｌ５Ｃ５相联而形成一个大的疏水性     

尿素—金属氯化物熔体的电导特性

测定了尿素－ＬｉＣｌ、尿素－ＮａＣｌ、尿素－ＫＣｌ、尿素－ＮｉＣｌ２、尿素－ＮａＣｌ－ＣｕＣｌ２、尿素－ＮａＣｌ－ＮｉＣｌ２熔体的电导率，研究了温度、浓度、碱金属离子大小对电导的影响。在所研究的温度范围内，上述体系的电导率与温度成直线关系。尿素－碱金属氯化物熔体的电导率随阳离子半径增大耐减少，且与阳离子半径平方的倒数成线性关系。     

二安替比林基—（3,4—亚甲二氧基）—苯基甲烷光度法测定微…

合成了二安替比林基－（３，４－亚甲二氧基）苯基甲烷，研究了ＤＡＤＭＰＭ与Ｃｒ的显色反应。在Ｈ３ＰＯ４介质中，在Ｍｎ和吐温２０存在下，Ｃｒ与ＤＡＤＭＰＭ反应生成橙黄色产物，λｍａｘ为４７０ｎｍ，摩尔吸光系数ε＝３．０×１０＾５Ｌ．ｍｏｌ＾－１．ｃｍ＾－１。     

Laβ—Al2O3固体电解质的制备和性能

用直接合成法制备了Ｌａβ－Ａｌ２Ｏ３固体电解质，利用阻抗谱测定了电导率，研究了电导率和温度、ＭｇＯ含量之间的关系，得出最了的组成为ａＭｇ０．４Ａｌ１０．７Ｏ１７．９５。在４５０℃到１０００℃温度下测得电导率为１０＾－６到１０＾－２Ｓ．ｃｍ＾－１，活化能为０．８９ｅＶ到１．０２ｅＶ。测定了８００Ｃ下的离子迁移烽接近于１。     

尿素－金属氯化物熔体的电导特性

测定了尿素—ＬｉＣｌ、尿素—ＮａＣｌ、尿素—ｋＣｌ、尿素—ＣｕＣｌ＿２、尿素—ＮｉＣｌ＿２、尿素—ＮａＣｌ—ＣｕＣｌ＿２、尿素—ＮａＣｌ—ＮｉＣｌ＿２熔体的电导率，研究了温度、浓度、碱金属离子大小对电导的影响。在所研究的温度范围内（１００～１３６℃），上述体系的电导率与温度成直线关系，尿素一碱金属氯化物熔体的电导率随阳离子半径增大而减少，且与阳离子半径平方的倒数成线性关系。尿素—ＣｕＣｌ＿２（０．１～１．０ｍｏｌ·ｄｍ￣（－３））的电导率在０．８ｍｏｌ·ｄｍ￣（－３）附近出现最高点，在０．７４ｍｏｌ·ｄｍ￣（－３）氯化物浓度附近，摩尔电导的顺序是ＬｉＣｌ＞ＮａＣｌ＞ＫＣｌ＞。     

多聚配合物[Cd(β-ala)Cl_2]的合成与晶体结构

多聚配合物［Ｃｄ（β－ａｌａ）Ｃｌ２］用ＣｄＣｌ２与β－丙氨酸（β－ａｌａ，Ｈ３Ｎ＋ＣＨ２ＣＨ２ＣＯ２－）在水溶液反应制得，并用单晶结构分析法测定其结构．该配合物的化学式为Ｃ３Ｈ７ＣｄＣｌ２ＮＯ２，属正交晶系，空间群为Ｐｎｍａ（Ｎｏ．６２），ａ＝６９４．４（１），ｂ＝７９６．３（２），ｃ＝１２９３．１（３）ｐｍ，Ｖ＝０．７１５０（６）ｎｍ３，Ｚ＝４，Ｍｒ＝２７２．４０，Ｄｃ＝２．５３０Ｍｇ／ｍ３，用８３４独立衍射数据对结构进行精化，最后残差因子Ｒ１＝０．０４２１．结果表明，每个镉离子与４个Ｃｌ和２个β－ａｌａ的羧基氧原子配位，呈变形八面体结构．每对镉离子由２个Ｃｌ和１个双齿羧基桥连，形成一维链状聚合结构     

Co（Ⅱ）Mn（Ⅱ）与PAR显色反应的离子强度效应

用分光光度法测定了在２５℃条件下，以ＮａＣｌＯ４为支持电解质的水溶液中，Ｍｎ（Ⅱ）－ＰＡＲ，Ｃｏ（Ⅱ）－ＰＡＲ显色反应的离子强度效应，考察了当溶液离子强度Ｉ＝０．２１￣２．０２时，显色化合物的摩尔吸光系数的变化，得到Ｉ＝０时热力学摩尔吸光系数。     

C_3A 的 Al-O,Ca-O 键与水化活性关系的量子化学研究

通过量子化学的ＳＣＣ－ＤＶ－Ｘα计算方法，分别研究了Ｃ３Ａ分子结构中２种ＡｌＯ４四面体和３种ＣａＯｘ（ｘ＝６，６，９）多面体的价键特性与活性。原子净电荷、键强、电子态密度、ＥＬＵＭＯ以及ΔＥ（ＬＵＭＯ－ＨＯＭＯ）等的计算结果表明：与水反应时，多面体活性大小顺序为Ｃａ（４）Ｏ９＞Ｃａ（１）Ｏ６（或Ｃａ（３）Ｏ６）＞Ａｌ（１）Ｏ４＞Ａｌ（２）Ｏ４。Ｃ３Ａ具有高水化活性主要与弱的Ｃａ－Ｏ键和空洞缺陷有关。     

以间苯二甲酸二价阴离子为桥联配体的Mn（Ⅱ）－Mn（Ⅱ）双核配合物的合成与磁性

合成了锰（Ⅱ）与间苯二甲酸根离子（ＩＰＨＴＡ）和４，４’－二甲基－２，２’－联吡啶（Ｍｅ２ｂｐｙ）、５－硝基－１，１０－邻菲罗啉（ＮＯ２－ｐｈｅｎ）的双核配合物：［Ｍｎ２（ＩＰＨＴＡ）（Ｍｅ２ｂｐｙ）４］（ＣｌＯ４）２（１）和［Ｍｎ２（ＩＰＨＴＡ）（ＮＯ２－ｐｈｅｎ）４］（ＣｌＯ４）２（２）．通过元素分析、红外光谱、电子光谱、电导、磁性测量推定配合物具有间苯二甲酸根桥联结构，Ｍｎ（Ⅱ）离子处于六配位的八面体环境．测定了配合物（１）的变温磁化率（４～３００Ｋ），其数值与自旋哈密顿算符Ｈ＝－２ＪＳ１·Ｓ２导出的磁方程拟合，求得交换积分Ｊ为－８．６２ｃｍ－１，表明双核配合物中金属离子间存在弱的反铁磁性超交换作用．     

双冠醚与碱金属高氯酸盐的配合物

研究了高氯酸锂、钠、钾与２，２′－二硝基－４．５，４′．５′－双并－（１５－冠－５）－二苯。基二硫化物（Ｌ）在有机溶剂中的反应。制备出了组成为ｍＭＣｌＯ＿４·ＬｎＨ＿２Ｏ（Ｍ＝Ｌｉ，，ｎ＝２，ｎ＝１；Ｍ＝Ｎａ，ｍ＝ｎ＝２；Ｍ＝Ｋ，，ｍ＝１，ｎ＝２）新的固体配合物，运用红外光谱、紫外光谱、摩尔电导讨论了金属离子与双冠醚及高氯酸根的配位情况。结果表明，金属离子的直径与冠醚孔穴直径之比值Ｄ＿ｉ／Ｄ＿ｅ是影响其配位比的重要因素。     

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

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