化合物2,2'-二硫代二苯甲酸·乙腈的合成与表征

利用水热反应合成了化合物2,2’-二硫代二苯甲酸乙腈化合物[(H2DTBB)·(CH3CN)]n(1),H2DTBB=2,2’-二硫代二苯甲酸],并用红外光谱和X-射线单晶衍射对其结构进行了表征,该配合物属单斜晶系,C2/c空间群,晶胞参数为:α=1.6423(3)nm,b=1.2785(3)nm,c=2.1119(4) nm,β=109.12,V=4.1897(15) nm3,Z=4.该化合物是由邻巯基苯甲酸经原位合成H2DTBB与溶剂分子乙腈构成,分子间通过π…π堆积和氢键作用链接形成三维的超分子结构.同时还测定了该化合物的荧光性质和紫外-可见固体漫反射光谱.     

超分子化合物[H2bpy]2(PMo7Ⅵ Mo5Ⅴ V2Ⅳ O42)的水热合成与晶体结构

利用中温水热技术合成了一种新型超分子化合物[H2bpy]2(PMo7Ⅵ Mo5Ⅴ V2Ⅳ O42).该化合物属于单斜晶系,P21/n空间群,晶胞参数a=l.143 7(2) nm,b=l.222 9(2) nm,c=1.730 1(4) nm,β=102.53(3)°,V=2.362 2(8) nm3,Z=2,R1=0...     

二维层状钒氧化合物Co(bpy)(H2O)V2O6的水热合成和晶体结构

采用水热合成法合成了组成为Co(bpy)(H2O)V2O6(bpy=bipyridine)的钒氧化合物,并用红外光谱、元素分析和单晶X-射线衍射等手段对其进行了表征.结果表明:化合物的晶体属于正交晶系,Pca21空间群,a=0.922 3(10)nm,b=1.054 8(12)nm,c=1.439 7(16)nm,V=1.401(3)nm3,Z=4,R1=0.016 4.单晶结构解析表明,化合物具有由钒-氧锯齿链{V2O6}2nn-和n个Co(bpy)(H2O)2 单元通过氧原子共价连接而形成的二维层状结构.     

8-甲氧基香豆素-3-甲酸甲酯的合成、晶体结构及抑菌活性

微波辐射下利用3-甲氧基-2-羟基苯甲醛和丙二酸二甲酯在甲醇溶剂中反应,高产率地合成了8-甲氧基香豆素-3-甲酸甲酯,通过元素分析、IR、1HNMR和X-射线单晶衍射分析确定了其结构.该化合物属单斜晶系,P21/c空间群,a=0.40283(14)nm,b=2.4867(8)nm,c=1.0379(4)nm,β=93.272(4)°,Z=4,V=1.0380(6)nm3,R1=0.0560,wR2=0.1532.化合物是一平面分子,分子间通过弱的C-H…O氢键和π-π堆积作用形成了三维超分子结构.用微量热法研究了该化合物对大肠杆菌生长的抑制作用,结果表明该化合物有较好的抑菌活性.     

3,5-双(4-氯苯)-2,4-双(羰基吡啶)-1-(2-吡啶)环己醇的合成与表征

为进一步研究吡啶类化合物的晶体结构及固体荧光性质,利用对氯苯甲醛与β-乙酰吡啶在氢氧化钠的无水乙醇溶液中进行反应得到了吡啶类化合物(1):3,5-双(4-氯苯基)-2,4-双(羰基吡啶基)-1-(2-吡啶基)环己醇(C_(35)H_(27)Cl_2N_3O_3),并进行了红外光谱、核磁共振光谱、X-单晶衍射及固体荧光等表征。研究结果表明:化合物(1)属于三斜晶系P-1空间群,结构参数分别是a=0.941 18(7) nm,1.050 16(9) nm,c=1.614 60(13) nm,α=92.403(5)°,β=97.507(5)°,γ=103.076(5)°,V=1.536 9(2) nm~3,Z=2,R=0.051 3,wR=0.158 6。在化合物(1)的不对称单元结构中有两个化合物分子单元。以构成的环己烷分子中的碳原子为桥头,连接了两个酰基吡啶基、一个羟基、一个吡啶基,两个对氯苯基,形成了扭曲的结构。化合物(1)的固体荧光在激发波长为300 nm时呈现出五重峰,分别位于424、451、485、531、576 nm处,是由π→π~*, n→π~*跃迁以及π-π堆积作用的共同影响所产生。     

配位聚合物[Co(H_2O)_4(bpy)]_n(fum)_n·(4H_2O)_n的水热合成和晶体结构

采用水热法合成了一个一维配位聚合物[Co(H2O)4(bpy)]n(fum)n(4H2O)n1(bpy=4,4’-联吡啶,fum=反丁烯二酸).对其进行了元素分析和X射线单晶衍射测定.该化合物属于单斜晶系,空间群P2(1)/n,晶胞参数a=0.71680(17)nm,b=0.77557(19)nm,c=0.9863(2))nm,α=79.275(2),β=87.808(2),γ=71.294(2)°,z=1,V=0.5101(2)nm3,Dc=1.547g/cm3,F(000)=249,μ=0.905mm-1,R1=0.0298,ωR2=0.0662.     

配位聚合物{[Cu(4,4′-bpy)(OH)(H_2O)_2](ClO_4)·2H_2O}_n的合成、表征与性质

采用超声振荡反应与溶液挥发相结合的方法,合成了一类具有3D结构的新型超分子配位聚合物{[Cu(4,4′-bpy)(OH)(H_2O)_2](ClO_4)·2H_2O}n(4,4′-bpy=4,4′-联吡啶).获得其单晶结构,并用X-射线单晶衍射分析、元素分析、X-射线粉末衍射分析和循环伏安法对其进行表征.研究结果表明:该配合物属于单斜晶系;空间群为Cc;晶胞参数为a=1.023 00(7)nm,b=1.988 8(1)nm,c=0.749 90(5)nm,β=100.403(7)°,V=1.500 6(2)nm3,Z=4.在标题化合物中,每个铜(Ⅱ)离子由2个4,4′-联吡啶的2个氮原子,1个氢氧根的1个氧原子和2个水分子的2个氧原子配位,形成畸变的CuN2O3四角锥构型.因每个4,4′-联吡啶桥联2个铜(Ⅱ)离子,故形成了一维链状结构,而相邻的一维链状结构,又通过分子间氢键和π-π相互作用,联结成3D超分子配位聚合物.     

一个具有三维氢键超分子结构的金鸡纳霜生物碱衍生物的合成和晶体结构

合成了一个金鸡纳霜生物碱衍生的季铵盐,并通过元素分析、红外、核磁和X-射线衍射进行了结构表征.空间群为P 2(1)2(1)2,晶胞参数a=1.050 2(1)nm,b=2.819(3)nm,c=0.879 5(8)nm,V=2.6040(4)nm3,Z=4.该化合物在π-π堆积和氢键等超分子导向作用下组装成新颖的有机双链螺旋和三维氢键超分子结构.     

二维钡钨双金属膦酸配位聚合物的合成、结构及荧光研究

水热条件下,以2,2'-联吡啶(2,2'-bipy)为结构导向剂,利用Ba(II)盐,硅钨酸与1-羟基-2-(3-吡啶基)亚乙基-1,1-二膦酸(H5L=(H4C5N)CH2C(OH)(PO3H2)2)反应,得到二维钡钨双金属膦酸配位聚合物{[Ba2(L-H)(H2O)2(WO3)]·H2O}n(化合物1).该化合物为单斜晶系,C2/c空间群,晶胞参数:a=2.305(2)nm,b=0.7310(5)nm,c=2.033(1)nm,β=93.160(7)°,V=3.420(4)nm3,Z=8,R1=0.0293,ωR2=0.0702.单晶X-射线衍射分析表明其具有二维双金属无机层状结构.荧光测试结果表明,在236nm发射波长下,出现2个来自于膦酸分子内(λem=380.5nm,437.5nm)π*-π跃迁的荧光发射峰:λem=317nm,445.5nm.     

双核铜配合物[Cu2（Ophen）2]·2H2O（HOphen=2-羟基-1,10-啉菲咯啉）的水热合成和晶体结构

通过水热合成法制备了带有两个游离水分子的羟基化邻菲咯啉双核铜配合物[Cu2(Ophen)2]·2H2O(HOphen=2-羟基-1,10-啉菲咯啉).通过红外光谱和X射线单晶衍射进行结构表征.结果表明标题化合物属正交晶系,晶胞参数为:a=0.384 2(5) nm, b=1.913(3) nm, c=2.691(3) nm, α＝β＝γ＝90.00°, 晶体的其他参数为:Z=2, V=1.978(4) nm3, Dc=1.344 mg/m3, R1=0.083 9,wR1=0.147 1.该化合物中,配体邻菲咯啉发生了羟基化反应,形成羟基化邻菲咯啉,结构中还含有两个游离水分子.芳环之间的π-π堆积作用、铜-铜之间的弱作用使得该化合物分子形成一维梯形结构.     

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.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

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.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

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