二氯·二[1-对甲氧基苯基-3-(1,2,4三唑-1-基)-1-丙酮-N~4]合钴(Ⅲ)的合成及晶体结构

合成了配合物二氯.二[1-对甲氧基苯基-3-(1,2,4三唑-1-基)-1-丙酮-N4]合钴(Ⅱ),并测定了其晶体结构.晶体为单斜晶系,C 2/c空间群,晶胞参数:a=2.100 8(4)nm,b=0.488 88(10)nm,c=2.627 4(5)nm,β=98.10(3),°V=2.671 5(9)nm3,Z=4,Dc=1.473 g/cm3.晶体配合物为C2对称,对称轴通过钴原子,钴原子与来自配体的两个氮原子和两个氯原子配位,形成一个略变形的正四面体结构,测定了其IR及UV-v is光谱性质.     

二氯·二[1-对甲氧基苯基-3-（1,2,4三唑-1-基）-1-丙酮-N4]合钴（Ⅲ）的合成及晶体结构

合成了配合物二氯·二[1-对甲氧基苯基-3-(1,2,4三唑-1-基)-1-丙酮-N4]合钴(Ⅱ),并测定了其晶体结构.晶体为单斜晶系,C2/c空间群,晶胞参数:a=2.100 8(4)nm,b=0.488 88(10) nm,c=2.627 4(5) nm,β=98.10(3)°,V=2.671 5(9) nm3,Z=4,Dc=1.473 g/cm3.晶体配合物为C2对称,对称轴通过钴原子,钴原子与来自配体的两个氮原子和两个氯原子配位,形成一个略变形的正四面体结构,测定了其IR及UV-vis光谱性质.     

3-羟基-1-金刚烷甲酸铜配合物的合成和晶体结构

以碱式碳酸铜、3-羟基-1-金刚烷甲酸(HOC10H14COOH)和邻菲啰啉为原料,水热法合成了配合物[Cu2(HOC10H14COO-)2(phen)4].(HOC10H14COO-)2·17H2O.用单晶X-射线衍射法测定了配合物的晶体结构.该配合物C92H126Cu2N8O29属于三斜晶系,空间群P-1,a=1.227 31(4)nm,b=1.657 44(6)nm,c=2.322 78(8)nm,α=93.604(2)°,β=92.518(2)°,γ=95.370(2)°,V=4.689 0(3)nm3,Z=1,Mr=3 826.12,F(000)=2 020,Dc=1.355 g.cm-3,μ=0.487 mm-1.结果表明:每个铜原子与2个邻菲啰啉中的4个氮原子和1个配位3-羟基-1-金刚烷甲酸根中的羧基氧原子配位,配位数为5.     

（β-二亚胺基）Yb-Li双金属氯化物的合成和晶体结构

β-二胺基锂与无水YbCl3在四氢呋喃(THF)中按摩尔比为1:1反应,可以高产率生成(β-二亚胺基)Yb-Li双核金属配合物LYbCl(μ-Cl)2Li(THF)2[L为{(C6H3-2,6-(CH3)2)NC(CH3)}2CH](1).配合物(1)经过元素分析、ED-TA络合滴定、红外光谱分析等方法表征,并测定了其晶体结构,属于单斜晶系,C2/c空间群,a=3.3179(3)nm,b=1.39234(9)nm,c=2071 9(2) nm,V=7.750(1)nm3,Z=8,Dc=1.449mg/m3,R=0.045 8,wR=0.0806.配合物(1)具有双金属结构,β-二亚胺基镱部分通过2个氯桥与Li 相连,Li 再与2个THF分子配位.Yb原子与β-二亚胺基上的2个N原子,3个Cl原子和1个THF上的O原子配位,形成一个八配位的扭曲的八面体结构.     

二-μ2-羟基-二氯-二-μ3-氧八苄基四锡的合成与晶体结构的表征

用NaOH水溶液调节pH值,使二苄基二氯化锡[(PhCH2)2SnCl2]发生部分水解后,获得新型有机锡化合物二-μ2-羟基-二氯-二-μ3-氧八苄基四锡{[(PhCH2)2(Cl)SnOSn(OH)(PhCH2)2]2}(Ⅰ).经过元素分析、1H核磁共振和红外光谱及晶体结构测定等手段对其进行了结构表征.结果表明:化合物Ⅰ为单斜晶系,空间群P2(1)/n;a=1.026 93(10)nm,b=1.596 12(15)nm,c=1.979 69(18)nm,β=98.211(2)°,V=3.211 7(5)nm3,Z=4,F(000)=2 808,Dc=2.934 g/cm3,μ=3.323 mm-1,R1=0.046 0,wR2=0.108 4;4个Sn原子处于2种不同的化学环境,但均为五配位,构成以Sn原子为中心的扭曲三角双锥构型,为对称的梯形二聚体结构.     

一个新型三硫醚配体-银(Ⅰ)配位聚合物的合成、表征与晶体结构

报道了一个基于柔性三硫醚配体(L=1,3,5-三(苯基硫代亚甲基)-2,4,6-三甲基苯)的新型AgI配合物{[Ag3(L)2(ClO4)2](ClO4))∞(1)的合成与结构表征.X-射线单晶衍射结果表明,配合物1为单斜晶系,C2/c空间群,晶胞参数为a=3.493 1(7)nm,b=2.158 4(8)nm,c=2.878 2(4)nm,β=123.688(10)°,V=18.056(3)nm3,Z=8.配合物1的不对称单元中存在3个晶体学独立的AgⅠ离子,其中一个为四配位,另外两个具有线性二配位模式.每个配体中的3个硫原子通过与其邻近的3个AgⅠ离子配位,形成由6个金属离子和6个配体所组成的六边形48元大环重复单元,并且通过这种重复单元构成具有(6,3)拓扑结构的二维无限蜂窝状配位网络.     

3-溴-5-氯水杨醛缩2,4-二甲基苯胺铜配合物的合成及晶体结构研究

目的合成一种新Schiff碱铜配合物。方法以3-溴-5-氯水杨醛,2,4-二甲基苯胺和金属Cu(II)离子为原料合成一种新的Schiff碱金属铜配合物,用X-射线单晶衍射法对其结构进行表征。结果标题化合物属于单斜晶系,空间群P21/c,晶胞参数a=1.219 4(1)nm,b=1.221 2(1)nm,c=1.993 4(2)nm,β=94.830(1)°,V=2.957 8(5)nm3,Dc=1.659 g/cm3,Z=4,μ=3.651mm-1,F(000)=1 468,R=0.037 7,wR=0.073 7。结论该化合物由2个双齿Schiff碱配体和1个Cu(II)离子组成。中心Cu(II)离子与2个双齿Schiff碱配体的2个亚氨基N原子及2个酚氧基O原子配位,配位数为4,呈平面四方构型。     

基于2，5-双（4-吡啶基）-1，3，4-噁二唑配体的钴高氯酸盐超分子配合物的一种新晶型研究

在丁二酸和三乙胺存在下,高氯酸钴与2,5-双(4-吡啶基)-1,3,4-(口恶)二唑 (4-bpo) 反应生成配合物[Co(4-bpo)2(H2O)4](4-bpo)2(ClO4)2(H2O)6 (1) 的一种新晶型单斜晶系,P2/n空间群,晶胞参数为a=1.909 2(2) nm, b=0.699 7(8) nm, c=2.271 1(3) nm, β=98.462(2)o, V=3.000 6(6) nm3, Z=2. 配位单元中的八面体钴离子处于结晶学反演中心,配位原子分别来自于赤道平面上的4个水分子和2个轴向吡啶氮原子. 晶格水分子、4-bpo和高氯酸根位于单核配位阳离子[Co(4-bpo)2(H2O)4]2+的周围,并通过多种O-H...O及O-H...N氢键作用连接形成新颖的主-客体包合结构,其中游离的阴离子处于所形成的二维氢键层内和层间的空隙中.     

基于2,5-双(4-吡啶基)-1,3,4-(口恶)二唑配体的钴高氯酸盐超分子配合物的一种新晶型研究

在丁二酸和三乙胺存在下,高氯酸钴与2,5-双(4-吡啶基)-1,3,4-(口恶)二唑 (4-bpo) 反应生成配合物[Co(4-bpo)2(H2O)4](4-bpo)2(ClO4)2(H2O)6 (1) 的一种新晶型:单斜晶系,P2/n空间群,晶胞参数为a=1.909 2(2) nm, b=0.699 7(8) nm, c=2.271 1(3) nm, β=98.462(2)o, V=3.000 6(6) nm3, Z=2. 配位单元中的八面体钴离子处于结晶学反演中心,配位原子分别来自于赤道平面上的4个水分子和2个轴向吡啶氮原子. 晶格水分子、4-bpo和高氯酸根位于单核配位阳离子[Co(4-bpo)2(H2O)4]2+的周围,并通过多种O-H...O及O-H...N氢键作用连接形成新颖的主-客体包合结构,其中游离的阴离子处于所形成的二维氢键层内和层间的空隙中.     

基于2,5-双(4-吡啶基)-1,3,4-噁二唑配体的钴高氯酸盐超分子配合物的一种新晶型研究(英文)

在丁二酸和三乙胺存在下,高氯酸钴与2,5-双(4-吡啶基)-1,3,4-口恶二唑(4-bpo)反应生成配合物[Co(4-bpo)2(H2O)4](4-bpo)2(ClO4)2(H2O)6(1)的一种新晶型:单斜晶系,P2/n空间群,晶胞参数为a=1.909 2(2)nm,b=0.699 7(8)nm,c=2.271 1(3)nm,β=98.462(2)o,V=3.000 6(6)nm3,Z=2.配位单元中的八面体钴离子处于结晶学反演中心,配位原子分别来自于赤道平面上的4个水分子和2个轴向吡啶氮原子.晶格水分子、4-bpo和高氯酸根位于单核配位阳离子[Co(4-bpo)2(H2O)4]2 的周围,并通过多种O-H…O及O-H…N氢键作用连接形成新颖的主-客体包合结构,其中游离的阴离子处于所形成的二维氢键层内和层间的空隙中.     

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