三(1—苯基—3—甲基—4—三氟乙酰基吡唑啉酮—5)二水合钕(Ⅲ)萃合物的晶体结构和分子结构的测定

合成了三(1—苯基—3—甲基—4—三氟乙酰基吡唑啉酮—5)二水合钕(Ⅲ)萃合物。经元素分析确定其组成为Nd(PMTFP)_3·2H_2O,X射线单晶衍射测定了化合物的晶体结构及分子结构。晶体属单斜晶系,P2_1/c空间群,晶体学参数如下:a=17.799(9)×10~(-10)m,b=12.661(6)×10~(-10)m,c=18.691(7)×10~(-10)m,β=102.71(6)~0,v=4108.8(10~(-10)m)~3,Z=4.分子中中心原子钕与八个氧原子成配位键,其中六个氧来自三个双齿配位的PMTFP-基,其余两个氧则由两个水分子所提供,八个氧原子取四方反棱柱型排列在钕的周围。     

LiAl（IO3）4晶体结构的研究

用新的化学方法获得多晶碘酸盐LiAI(IO_3)_4其晶体具有压电性。密度为4.60g/cm~3,颜色为白色,常压下分解温度是445±5℃。用X射线粉末法测定了LiAI(IO_3)_4的晶体结构和原子参数。发现LiAI(IO_3)_4与a-LiIO_3同晶型,属六方晶系。室温下的点阵常数分别为a=5.585×10~(-10)m,C=4.945×10~(-10)m,c/a=0.8854。     

1,4-二(2-邻苯甲醛基)-1,4-二氧丁烷的合成及晶体

以 1 ,2 -二溴乙烷和水杨醛为原料 ,通过亲核取代反应 ,合成了 1 ,4 -二( 2 -邻苯甲醛基 ) - 1 ,4 -二氧乙烷 (C16H14 O4)。通过单晶X -射线衍射法确定其晶体结构 ,标题化合物的晶体属于三斜晶系 ,空间群为P- 1 ,晶胞参数a=7 80×1 0 -10 m( 2 ) ,b=8.4 6 × 1 0 -10 m( 2 ) ,c=1 .1 5× 1 0 -9m( 2 ) ,α=82 .88( 3) ,β=74 95( 3) ,γ=6 7 0 7( 3) ,V =6 74 × 1 0 -2 8m( 2 ) ,Z=2 ,Dc =1 333g/cm3 。     

{MoOS3Cu3 （PPh3）3Cl}的合成及晶体结构

本文合成并测定了{MoOS_3Cu_3(PPh_3)C1}的晶体结构,簇合物属正交晶系,空间群为P_(212121)晶胞参数:a=12.833(5)×10~(-10)m,b=17.552(5)×10~(-10)m,c=22.778(7)×10~(-10)m;Z=4。结构用直接法解出,经最小二乘法修正,偏离因子R=0.069.     

三聚磷酸二氢铝二水物的合成和表征

用磷酸和氢氧化铝为原料制备三聚磷酸二氢铝二水物。用X-衍射、红外光谱、化学分析、DTA-TG结合X-ray分析,证明产品的化学结构式为AlH2P3O10*2H2O。其晶体结构属正交晶系,空间群为PZ1/bZ1/aZ/m,D92h,晶胞参数a=15.919×10-8 cm,b=8.884×10-8cm,c=9.936×10-8 cm,单位晶胞体积V=1 405×10-8 cm3,Z=6。防绣性能测试表明其防锈能力与红丹颜料相当。毒理学试验表明该颜料半致死量LD50=18.0 g/kg(小白鼠),属实际无毒级,符合食品容器及儿童玩具涂装的要求。     

邻香兰素与乙二胺双希夫碱的晶体结构

邻香兰素与乙二胺双希夫碱的晶体属单斜晶系,空间群Pc,a=9.418(2)×10~(-1)nm,b=6.278(1)×10~(-1)nm,c=14.495(4)×10~(-1)nm,β=93.35(2)°,V=856(0)×(10~(-1)nm)~2,Z=2。最后的一致性因子R=0.063,R_w=0.061。     

一种可用于二阶非线性光学材料的新型对硝基酚水合物的晶体结构

合成了标题化合物水合对硝基酚C6H5NO3·1.5H2O,用X-射线单晶衍射法测定了该化合物的晶体结构.结果表明,晶体属单斜晶系,C2空间群,α=21.198(11),b=3.674 7(19),c=10.376(6)×10-10m,β=117.164(7)°,V=719.1(7)× 10-30 m3,Z=4,Dc=1.535 g/cm3,F(000)=348,λ(MoKα)=0.710 73 × 10-10m,μ=0.133mm-1.收集2 031个独立衍射点,其中可观测衍射点1 344个[I＞2σ(I)].最终偏离因子R=0.054 6,wR=0.1247.标题化合物非中心对称的晶体结构和良好的共轭分子结构符合二阶非线性光学(NLO)材料的结构要求,为我们设计有效的非中心对称的NLO材料提供了一种新的方法.     

高氯酸二水·双(N-氧化吡啶-2-甲醛)缩-1,3-丙二胺合镍粉末衍射数据的指标化研究

本文报导了高氯酸二水·双(N-氧化吡啶-2-甲醛)缩-1,3-丙二胺合镍的合成,粉末衍射数据及精化的单胞参数.主要的结晶学数据为:[Ni(C_(15)H_(16)N_4O_2)(H_2O)_2)(ClO_4)_2.正交晶系,空间群Pnam 或Pna2_1,a=7.490(4)×10~(-10)m,b=15.510(11)×10~(-10)m,c=18.457(13)×10~(-10)m,Z=4,Dcal=1.790,Dobs=1.765,品质因子为15.7.     

Pr1.8Bi0.1Sr0.8Ca0.3Cu2O6的制备,结构和性能研究

本文报道了新的含铜的氧化物的物相 Pr_(1.3)Bi_(0.1)Sr_(0.3)Ca_(0.2)Cu_2O_6的制奋、单晶结构和电磁性能.由单晶 X 射线衍射数据分析,该氧化物属四方晶系,空间群 D_(4λ)~(17)—l4/mmm.测得晶胞常数为α=3.831×10~(-10)m,c=19.642×10~(-10)m,Z=2,V=288.3×10~(-20)m~3。在4.5—300K 温度范围内,该物相不显超导性能。经高压纯氧气氛焙烧或经纯160 Pa 氧焙烧后再经氩气氛处理的 Pr_(2-x)(Sr,Ca)_(l+2)Cu_2O_(?)(x≈0至0.4)样品也不显超导性能.     

甲酸钡晶体结构的测定

用X射线衍射法测定了甲酸钡的晶体结构,其晶体结构属正交晶系,空间群P_(212121),晶胞参数为a=679.1(9)pm,b=889.6(2)pm,c=764.3(2)pm,晶胞体积V为4.6172×10~8pm~3,晶胞分子数z=4,晶胞密度D_c=3.271g/cm~3,钡原子周围有8个氧原子配位组成六面体,每个氧原子分属于每个甲酸根,即每个甲酸根只提供一个氧原子与钡配位,B_a—O键键长为274.1～287.4pm,甲酸钡具有较好的光学倍频效应。     

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     

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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Brief Introduction to “Journal of Jilin University( Science Edition) ”

<正>"Journal of Jilin University(Science Edition)"is a comprehensive academic journal in the fields of science sponsored by Jilin University and administrated by the Ministry of Education of the Peoples Republic of China.The journal started publication in 1955.The original name at starting publication was"Journal of Natural Science of Northeast People University",which was changed into"Acta Scientiarum Naturalium Universitatis Jilinensis"in 1958 owing to the name change of the university.The present journal name has