N-乙基咔唑树状分子的合成及光电性能

采用溴化反应和乌尔曼偶联反应合成了无定形N-乙基咔唑树状分子.运用密度泛函理论(TD-DFT),在B3LYP/6-31G(d,p)水平上,通过理论计算得到分子的HOMO能级为-5.16eV、LUMO能级为-1.59eV,与实验值非常接近.对N-乙基咔唑树状分子的光物理性能进行了研究,发现化合物在292nm处产生最大吸收峰,其最大发射峰在394nm处.利用循环伏安法对化合物的电化学性能进行了分析,发现N-乙基咔唑树状分子产生了可逆的双氧化峰,起始氧化势为0.74V.N-乙基咔唑树状分子的双光子吸收截面为13.86×10-50cm4.s.(photon)-1.     

5,5′-双(2-硝基苯基)偶氮二吡咯甲烷及其Ni(Ⅱ)配合物的合成与晶体结构

合成了一种5,5′-双(2-硝基苯基)偶氮二吡咯甲烷化合物及其镍配合物,采用X光衍射分析其晶体结构.由于分子内氢键的存在,配体分子的2个偶氮吡咯部分分别采取的是偶氮式异构体和腙式异构体.核磁共振和紫外-可见光谱分析进一步证明了配体分子在溶液中也存在腙式-偶氮式异构化.TGA研究表明配体化合物及其镍配合物均具有较高的热稳定性.     

不对称树枝状咔唑类衍生物的合成

以1,4-二溴苯和1,8-二碘联苯为原料分别与咔唑发生乌尔曼偶联反应制得两种相应的成对偶联分子,用NBS作为溴化试剂与这两种分子反应制得新型的多溴代产物:3,3′,6-三溴-1,4-双咔唑基苯、3,3′,6,6′-四溴-1,4-双咔唑基苯和3,3′,6-三溴-1,8-双咔唑基联苯.该溴化物与咔唑在铜催化下发生乌尔曼偶联反应制得3种新颖的树枝状咔唑类衍生物:3,3′,6-三(N-咔唑基)-1,4-双咔唑基苯、3,3′,6,6’-四(N-咔唑基)-1,4-双咔唑基苯、3,3′,6-三(N-咔唑基)-1,8-双咔唑基联苯.通过核磁、质谱分别对所合成的化合物进行了表征.     

一种新型有机聚合物的光学性质及全息存储

将一种新型偶氮分子偶氮乙烯咔唑(Azo-ethylenecarbazole,AEC)掺入聚乙烯咔唑Poly(N-Vinylcarbazole,PVK)和聚丙烯丁酯(Poly-butylacrylate,PBA)的聚合物以及三硝基芴酮(2,4,7-trinitro-9-fluorenone,TNF)聚合制成薄膜器件.实验结果表明掺杂偶氮苯聚合物薄膜在非共振吸收下产生了大的光致双折射,折射率变化值Δn达到1.2×10-2.而且样品在双相干光束作用下,可建立光折射率光栅,并实现了光全息存储.同时对相关结果形成的物理化学机制做出了定性的分析.     

N-乙基七咔唑树状分子的合成、光物理性能、电化学性能及双光子吸收性能的研究

无定形N-乙基七咔唑树状分子通过溴化反应和乌尔曼偶联反应合成。运用密度泛函理论（TD-DFT）,在B3LYP/6-31G(d,p)水平上,理论计算出分子的HOMO、LUMO能级。对七咔唑的光物理性能进行了研究,化合物在292nm产生最大吸收峰,最大发射峰在393nm。利用循环伏安法对化合物的电化学性能进行了研究,七咔唑产生可逆的双氧化峰,起始氧化势为0.74V.七咔唑的双光子吸收截面为13.86GM.     

2,2′-二十四烷氧基-4,4′-二-羧基-偶氮苯的合成

以3-羟基-4-硝基苯甲酸和1-溴代十四烷为原料设计合成了功能分子2,2′-二十四烷氧基-4,4′-二-羧基-偶氮苯,通过1HNMR、IR、MS和元素分析表征了该化合物及其中间产物的结构.该化合物的合成扩展了偶氮分子的研究范围.     

有机光折变聚合物材料的研制(Ⅰ)--4-(对硝基苯偶氮)-3-氯苯胺偶氮增感染料的合成

偶氮增感染料在以聚乙烯咔唑为主体的光折变材料复合物中起着十分重要的作用.为了进一步研究不同的偶氮增感染料对光折变性能的影响.我们合成了一些偶氮化合物,并对它们进行了结构表征.结果表明,偶联反应发生在间氯苯胺的对位上.     

8-氨基-7-羟基黄酮的简便合成

7-羟基黄酮和对硝基苯胺重氮盐在碱性每件下偶合,偶氮基引入黄酮分子的8住,生成7-羟基-8-(对硝基苯基偶氮基)黄酮.该偶氮化合物经保险粉还原后得到8-氨基-7-羟基黄酮.用红外光谱、核磁共振氢谱和质谱表征了所合成的化合物的结构.     

一种四苯基乙烯-咔唑化合物的合成与光谱性能研究

以化合物(3,5-二(9H-咔唑-9-基)苯基)(对甲苯基)甲酮为反应物,通过McMurry偶联反应合成了一种具有四苯基乙烯-咔唑共轭结构的化合物—1,2-二(3,5-二(9H-咔唑-9-基)苯基)-1,2-二-对-芳基乙烯(BDCPDT)。通过核磁共振、元素分析和质谱等方法表征了化合物的结构;利用量子化学计算法研究了分子的几何构型和轨道分布;通过紫外吸收光谱和荧光光谱表征了化合物的光物理性质;研究结果表明:化合物是以四苯基乙烯为核心,咔唑为外围基团的螺旋桨状结构,并且具有良好的聚集诱导发光(AIE)性能,它的固体荧光发射波长为428nm,是一种蓝色发光材料。     

原油中部分吡咯类含氮化合物运移参数的适用性

原油中含氮化合物参数已经成为研究油气运移方向的主要手段,但大量研究实例表明,在不同的地质条件下可能取得不同的应用效果.作者根据渤海湾盆地黄骅坳陷、松辽盆地古龙凹陷、长岭凹陷和新疆焉耆盆地的部分样品,分析了油气运移过程对原油中吡咯类含氮化合物组构的影响,讨论了参数之间的相关性,初步探讨了不同参数在油气运移方向研究中的适用性.分析表明,针对部分中国陆相盆地而言,除了含氮化合物丰度和1,8-二甲基咔唑/2,7-二甲基咔唑外,比较有效的运移参数主要还有苯并[a]咔唑 苯并[b]咔唑 苯并[c]咔唑、苯并[a]咔唑/苯并[c]咔唑或苯并[a]咔唑/(苯并[a]咔唑 苯并[c]咔唑)、遮蔽型烷基咔唑化合物含量(G1)/遮蔽型烷基咔唑化合物含量(G3)、3-甲基咔唑/4-甲基咔唑、甲基咔唑/二甲基咔唑、二甲基咔唑/三甲基咔唑等.     

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.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

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.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

Jane Eyre——A Feminist In The 19th Century

In the 19th century the society was controlled by men, and women were just appendants of them, they had not any rights and freedom. But Jane was an exception, she showed some characteristics of early feminist. Jane showed her characteristics of feminism in three aspects: rebellion, equality, and independence. These characteristics were helpful to her success, and feminism is the only way out for women of that time.     

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-