主体分子(±)-1,1’-双-2-萘酚与乙酸乙酯的新型包结物结构的研究

用ＩＲ和Ｘ射线衍射分析研究主体分子（±）－１，１’－双－２－萘酚与客体分子乙酸乙酯形成３１包结物晶体．晶体属三斜晶系，空间群为Ｐī．晶胞参数：ａ＝１０．３４９（５），ｂ＝１０．９７３（２），ｃ＝２２．７５７（３），α＝８１．２９（１），β＝７９．０４（３），γ＝７７．３２（２）°，Ｖ＝２４５９．０（１）３，Ｄｘ＝１．２７９ｇ／ｃｍ３，Ｆ（０００）＝９９６，可靠因子Ｒ＝０．０５５，Ｒｗ＝０．０５６［ｗ＝σ（Ｆ）］．每个不对称单位中由三个主体分子和一个乙酸乙酯分子组成，三个主体分子的六个羟基以分子间氢键相联系，致使晶胞中的两个不对称单位之间形成空腔，两个乙酸乙酯分子通过氢键嵌入此空腔之中     

金属-氨基多羧酸类配合物分子和晶体结构的研究(Ⅳ)——〔H_6edta〕〔V~Ⅲ(edta)(H_2O)〕_2.4H_2O配合物的合成及结构测定

本文报导了〔Ｈ６ｅｄｔａ〕〔ＶⅢ（ｅｄｔａ）（Ｈ２Ｏ）〕２·４Ｈ２Ｏ（ｅｄｔａ４－＝乙二氨基四乙酸根）配合物的合成及它的分子结构和晶体结构的测定．得出的具体分析结果如下：三斜晶系，Ｐ１—空间群，ａ＝７．７２４（５），ｂ＝１２．０９２（４），ｃ＝１２．６２２（４），α＝７２．７９（３）°，β＝８１．７９（４）°，γ＝７３．８０（４）°，Ｖ＝１０７９．１（８）３，单位晶胞中的分子数为１，Ｄｃ＝１．７４ｇ·ｃｍ－３，Ｄｏ＝１．７２ｇ·ｃｍ－３，μ＝０．５９５ｍｍ－１，Ｆ（０００）＝５３９，在３°≤２θ≤５５°的范围内共收集４２６８个衍射数据，对２２３８个独立衍射点，它的Ｒ和Ｒｗ值分别为０．０４８和０．０２９．其中〔ＶⅢ（ｅｄｔａ）（Ｈ２Ｏ）〕－是一个七配位的近似面冠三方柱（Ｃ２ｖ－ＭＴＰ）体结构．由此可知具有非对称电子结构（ｄ２）的ＶⅢ六齿配体的ｅｄｔａ４－（＝乙二胺四乙酸根）和作为第七个配体的水分子易形成七配位结构的配合物．     

铜（Ⅱ）配合物[Cu（C8H4O2SF3）2]的合成,表征和晶体结构

室温下，金属铜粉和２－噻吩甲酰三氟丙酮在甲醇溶剂中反应生成铜配合物［Ｃｕ（Ｃ８Ｈ４Ｏ２ＳＦ３）２］通过元素分析，红外光谱、热重、Ｘ－射线粉末衍射对其进行表征，并经Ｘ－射线单晶测试该配合物为单斜晶体，空间群为Ｐ２１／Ｃ，晶胞参数ａ＝１０．５８２（１），ｂ＝１１．１６９（２），ｃ＝８．０４４（３）；β＝１０４．６１（２）°；Ｖ＝９１６．７３；ｚ＝２；Ｄｃ＝１．８３３ｇ·ｃｍ－３；Ｒ＝０．０８２，Ｒｗ＝０．０９２。铜原子与四个氧原子配位，形成四方平面     

1,3,3a-三苯基-5-(2-溴苯基)-3a,4,5,11-四氢-3H-1,2,4-三唑并[4,3-d][1,5]苯并硫氮杂的合成和晶体结构

通过４－苯基－２－溴苯基－２,３－二氢－１,５－苯并硫氮杂与苯基腈亚胺的［２＋３］环加成反应制备了标题化合物,用Ｘ射线单晶衍射仪测定了其晶体结构。晶体属三斜晶系,Ｐ１,晶胞参数：ａ＝０．９０４５（２）ｎｍ,ｂ＝１．２５２６（２）ｎｍ,ｃ＝１．４０５４（２）ｎｍ,α＝６８．０８（２）°,β＝７３．７０（２）°,γ＝８５．３９（２）°,Ｖ＝１．４１６（１）ｎｍ３,Ｚ＝２,Ｄｃ＝１．３７９ｇ·ｃｍ－３。     

斯蒂酚酸铵的制备和晶体结构

目的　用单晶衍射分析方法测定斯蒂酚酸铵单晶结构; 方法　使斯蒂酚酸与２０％ 的氨水反应,生成斯蒂酚酸铵,并采用蒸发法制备单晶; 结果与结论　斯蒂酚酸铵晶体属单斜晶系,空间群为Ｐ２１／ｎ,晶体学数据为ａ＝ ０．８６１ ６（１）ｎｍ ,ｂ＝ １．７９０ １（３）ｎｍ ,ｃ＝１．４１５ ７ ｎｍ ,β＝ １０２．９５（１）°,Ｖ＝ ２．１２８ ０（５）ｎｍ ３,Ｚ＝ ８,Ｄｃ＝ １．７４３ ｍ ｇ·ｍ － ３,μ＝ １６３ ｍ － １,Ｆ（０００）＝ １ １５２;     

N-取代芳基-3-羟基-2-乙基-4-吡啶酮的合成和结构

由３羟基２乙基４吡喃酮和系列芳胺用“一锅”法合成了五种Ｎ取代芳基吡啶酮．测定了３ｄ的晶体结构,晶体属三斜晶系,Ｐ１－空间群,晶胞参数ａ＝７．３０６（１）,ｂ＝１０．３５１（１）,ｃ＝１７．３２１（２）;α＝８６．２５°,β＝７８．４４°,γ＝７１．９２°,Ｖ＝１２１９．９（２）３,Ｚ＝４,Ｄｃ＝１．３３５ｇ·ｃｍ－３．     

苯基氮杂-15-冠-5-八钼多酸钠超分子配合物的结构与热分解

本文对新型超分子配合物［Ｎａ（ＮＰｈ）１５Ｃ５（Ｅｔ２Ｏ）］２Ｎａ２Ｍｏ８Ｏ２６进行了Ｘ射线四园衍射测定,该晶体属单斜晶系,空间群为Ｐ２１／ｃ,ａ＝１７８０３（４）,ｂ＝１３６７４（３）,ｃ＝１４６１０（３）,β＝１１２３３（２）°,Ｖ＝３２９０（１）ｎｍ３,Ｍｒ＝２０２１３,Ｄｃ＝２１４ｇ／ｃｍ３,μ＝１７１ｍｍ－１,Ｆ（０００）＝２０７９６３,Ｒ＝００２５６和Ｒｗ＝００２９５,并联系差热热重分析和１ＨＮＭＲ实验,讨论了配合物的热分解过程．     

反式-9,10-二氢-9,10-二苯基-9,10-菲二醇的晶体结构

合成并表征了一种具有螯形结构的主体分子反式－９，１０－二氢－９，１０－二苯基－９，１０－菲二醇。Ｘ－射线衍射分析表明晶体属于单斜晶系，空间群Ｐ２１，晶胞参数：ａ＝ １．４４６ ７（３） ｎｍ ，ｂ＝ ０．９４９ ７（２）ｎｍ ，ｃ＝ １．４８７ ２（３） ｎｍ ，β＝ １１２．７５（３）°，Ｚ＝ ２，Ｖ＝ １．８８４ ４（９） ｎｍ ３。     

金属-氨基多羧酸类配合物分子和晶体结构的研究(Ⅲ)——K〔Fe~Ⅲ(ida)_2〕·3H_2O配合物的合成及结构测定

本文报导了Ｋ〔ＦｅⅢ（ｉｄａ）２〕·３Ｈ２Ｏ（ｉｄａ２－＝氨基二乙酸根）配合物的合成及它的分子结构和晶体结构的测定．具体结果如下：正交晶系，Ｐｂｃｎ空间群，ａ＝１８．７６５（３），ｂ＝１０．４４７（３），ｃ＝１５．６４５（２），ｖ＝３０６７（１）３，单位晶胞中的分子数为８，Ｄｃ＝１．７８ｇ·ｃｍ－３，Ｄｏ＝１．７２ｇ·ｃｍ－３，μ＝１．３１４ｍｍ－１，Ｆ（０００）＝１６８８，对于２７６７个独立的衍射点，它的Ｒ和Ｒｗ值分别为０．０５２和０．０４７．其中〔ＦⅢ（ｉｄａ）２〕－是一个Ｎ和Ｎ顺位的近似八面体结构．由此可知具有对称电子结构（ｈｉｇｈ－ｓｐｉｎｄ５）的ＦｅⅢ与被看成是ｅｄｔａ４－（＝乙二胺四乙酸根）去掉了ＣＨ２—ＣＨ２基团的双ｉｄａ２－配体形成的配合物只能选择六配位的八面体结构     

二乙胺合三（5—甲基—2—苯并噻唑基）硼烷的晶体结构

标题化合物二乙胺合三（５－甲基－２－苯并噻唑基）硼烷（Ｃ２８Ｈ２９ＢＮ４Ｓ３（Ｍｒ＝５２７．５７）的晶体属于三斜晶系,空间群为Ｐ１,晶胞参数ａ＝０．３９７（８）ｎｍ,ｂ＝１．１７４２（６）ｎｍ,ｃ＝１．３１００（２）ｎｍ,α＝１０４．２９（２）°,β＝９２．９９（３）°,γ＝９８．５８（５）°,Ｖ＝１．３７９０ｎｍ＾３,Ｚ＝２,Ｄｃ＝１．２７０ｇ／ｃｍ＾３,μ（ＭｏＫｎ）＝２．８０４ｃｍ＾－１。结     

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.     

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.     

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.     

A computer generator for randomly layered structures

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

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.     

海南岛地体及其毗邻陆缘晚中生代—新生代古地磁研究和构造演化

本文叙述了对海南岛及其毗邻大陆边缘白垩纪到第四纪地层岩石进行古地磁研究的全部工作过程。通过分析岩石中剩余磁矢量的磁偏角及磁倾角的变化,提出海南岛白垩纪以来经历的构造演化模式如下:早期伴随顺时针旋转而向南迁移,后期伴随逆时针转动并向北运移。联系该地区及邻区的地质、地球物理资料,对海南岛上述的构造地体运动提出以下认识:北部湾内早期有一拉张作用,主要是该作用使湾内地壳显著伸长减薄,形成北部湾盆地。从而导致了海南岛的早期构造运动,而海南岛后期的构造运动则主要是受南海海底扩张的影响。海南地体运动规律的阐明对于了解北部湾油气盆地的形成演化有重要的理论和实际意义。     

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.     

《Chinese Science Bulletin》SUBJECT INDEX TO VOLUME 59(2014)

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Achieving Unusual States of Matter Under High Pressure

The elongation method,originally proposed by Imamura was further developed for many years in our group.As a method towards O(N)with high efficiency and high accuracy for any dimensional systems.This treatment designed for one-dimensional(ID)polymers is now available for three-dimensional(3D)systems,but geometry optimization is now possible only for 1D-systems.As an approach toward post-Hartree-Fock,it was also extended to