N,N′-双水杨醛缩二氨基乙醚的合成和晶体结构

合成了一种新的西佛碱配体N,N''双水杨醛缩二氨基乙醚,并采用x射线单晶衍射法测定了它的晶体结构。该晶体属正交晶系空间群P_bcn,a=5.667(2)Å,b=9.192(3)Å,c=31.829(11)Å,v=1658.2(7)ų,分子式为C₁₈H₂₀N₂O₃,Mr=312.36,Z=4,D_C=1.251g·cm^-3,晶体结构测定和UV,IR谱均表明分子内形成氢键。在甲醇溶液中有一个荧光发射带,λ_max=443nm。     

一种含5-硝基间苯二甲酸和菲咯啉配体的超分子化合物：结构表征，光致发光和电化学性能

采用水热法合成了含混合配体的铜配合物[CuClPhen]⁺·[HL]^-·2H₂O（HL=5-硝基间苯二甲酸,Phen=1,10-菲咯啉）,其结构由单晶X射线晶体学确定。标题化合物在三斜空间群P-1的晶体化合物。标题化合物的晶体数据：C₃₂H₂₄ClN₅CuO₈,M_r = 704.54,a = 10.4044(5),b = 12.3912(9),c = 12.4632(9)Å,α = 73.859(6),β = 85.036(5),γ = 78.202(5)^°,V = 1510.09(17) ų,Z = 2, T = 293(2) K,D_c = 1.549 g/cm³,μ(MoKα) = 0.874 mm^-1,F(000) = 720.0,R = 0.0554,wR = 0.1434,GOF = 1.098。当用作超级电容器电极材料时,所制备的配合物具有高比电容、良好的循环稳定性和优良的倍率性能。在1mol/L KOH溶液中,最大比电容可达到69 F/g。在2 A/g电流密度下,10000次循环后比电容保持率为72%。标题化合物是一种潜在的红色光致发光材料。     

三核铜配合物[Cu3(TBSSB)2(BSA)2(bipy)2]·H2O的合成、晶体结构及性质研究

以牛磺酸缩5-溴水杨醛席夫碱（TBSSB）、5-溴水杨醛（BSA）、2,2''-联吡啶（bipy）为混合配体,合成了三核铜配合物[Cu₃（TBSSB）₂（BSA）₂（bipy）₂]·H₂O （1）,并对该化合物进行了元素分析、红外光谱、X-射线单晶衍射、光致发光光谱、固体漫反射光谱及分子轨道分析等表征。晶体结构分析表明,该化合物结晶属三斜晶系,Pī空间群,晶胞参数为a=10.031（2）Å,b=11.480（2）Å,c=12.913（3）Å,α=73.13（3）°,β=78.58（3）°,γ=75.24（3）°,V=1363.6（5）ų,Z=1,M_r=1533.30,Dc=1.867 g/cm³,F（000）=759,μ=4.236 mm^-1,S=0.921,R₁=0.0488,wR₂=0.0471（I > 2σ（I））,R₁=0.1812,wR₂=0.0546。Cu （2）离子与来自于两个TBSSB配体的两个氮原子和两个氧原子配位,形成正方形配位构型。Cu （1）离子与来自于一个2,2''-bipy的两个氮原子,TBSSB配体的一个氧原子,以及BSA的两个氧原子配位,形成四方锥形配位构型。该化合物分子通过O-H…Br分子内氢键和C-H…O分子间氢键相互连接形成三维超分子结构。研究发现该化合物能够发出蓝色荧光,它的带隙为2.19 eV。     

一个新颖的双席夫碱配体衍生的双核镝(Ⅲ)配合物:合成、结构和磁性能研究

通过溶剂热方法合成了一个以2-[（2-羟基苯基）亚甲基联二腙]-N''-[（2-羟基苯基）亚甲基]-丙酰腙（H₃L）为配体的稀土镝（III）配合物[Dy₂（CH₃CN）₂（H₂O）₂（HL）₂（Cl）₂]·2CH₃CN,并通过单晶和粉末X-射线衍射、元素分析、红外光谱、热重分析、直流和交流磁化率对其结构和磁学性能进行了全面地表征。结构研究表明,该配合物结晶于单斜P2₁/c空间群,晶胞参数为a=0.78136（2）nm,b=1.81946（6）nm,c=1.63321（5）nm,β=97.365（3）°,V=2.32182（12）nm³,Z=2。在该配合物中,双去质子的HL^2-配体连接两个畸变的双帽三棱柱构型的Dy^III离子形成中心对称的双核结构。该配合物在零场下呈现出单分子磁体行为,其自旋磁矩翻转的有效能垒和指前因子分别为91.7 K和5.04×10^-6 s。     

基于4,4′-(2,5-二(甲硫基)-1,4-亚苯基)二吡啶的锌配合物:合成、晶体结构及荧光传感性能

采用水热法,用4,4′-(2,5-二(甲硫基)-1,4-亚苯基)二吡啶(L)和4,4′-二苯醚二甲酸(H₂OBA)与Zn(NO₃)₂·6H₂O,生成了一个三维配合物{}n(1)。X-单晶射线分析表明,配合物是为单斜晶系,C2/c空间群,分子量M_r=650.09,a=2.526 5(2) nm,b=1.462 3 (1) nm,c=1.715 9(1) nm,β=97.37(2)°,V=6.286 9(3) nm³,Z=4,D_c=1.458 g/cm³,F(000)=2 832,S=1.157,R₁=0.078 5,wR₂=0.194 6 (I>2σ(I))。配合物1中,Zn与配体L和质子化的4,4′-二苯醚二甲酸分别形成了一维链,而两条一维链相互来链接形成三维结构。另外对配合物热稳定性和荧光进行了测试。有趣的是,水中少量的Fe³⁺可以猝灭配合物1的荧光,证明配合物1对检测废水中的Fe³⁺具有潜在的应用价值。     

4,4'-二(1-咪唑基)苯硫醚构筑的钴配合物:合成、晶体结构及对有机染料降解性能研究

采用水热法,用4,4′-二(1-咪唑基)苯硫醚(BIDPT)和均苯三甲酸(H_3btc)与Co(NO₃)₂·6H₂O反应,合成了一个基于三核钴单元的一维链配合物{[Co₃(BIDPT)₄(btc)₂(H₂O)₂]·H₂O}n(1)。X单晶射线分析表明,配合物是为单斜晶系,Pc空间群,分子质量M_r=4 264.21(8),a=1.019 3(3) nm,b=1.783 0(5) nm,c=2.364 6(6) nm,β=102.45°,V=4.196 2(2) nm³,Z=2,D_c= 2.300 g/cm³,F(000)=2 814,S=1.042,R₁=0.056 0,wR₂=0.184 2 (I >2σ(I))。配合物1中,质子化的均苯三甲酸链接Co(1)和Co(3)形成了两条一维链。而这两条一维链与Co(2)和BIDPT构成的“8”字构型相连,形成了另外一条一维链。配合物中存在C－H…π堆积作用使一维链连接形成二维超分子结构。另外对配合物红外、元素分析、热稳定性以进行了测试。研究了配合物1对藏红T的催化降解性能,在氙灯照射和H₂O₂存在的条件下,配合物1对藏红T具有较好的光催化降解作用。     

一种含5-硝基间苯二甲酸和菲咯啉配体的铜（II）配合物的制备、表征及电化学性能

采用水热法合成了含混合配体的铜配合物[CuLPhen]n（HL=5-硝基间苯二甲酸,Phen=1,10-菲咯啉）,其结构由单晶X射线晶体学确定。标题化合物在单斜空间群P2₁/c中结晶。标题化合物的晶体数据：C₂₀H₁₁N₃CuO₆,Mr=106.57,a =10.6619（3）,b =12.5760（4）,c =13.0550（3）Å,α =90,β=95.463（3）,γ =90°,V =1742.50（9）ų,Z =4,T=293（2）K,Dc =1.726 g/cm³,μ（MoKα）=0.301 mm^-1,F（000）=51.0,R =0.0380,wR =0.07,GOF =1.026。当用作超级电容器电极材料时,所制备的配合物具有高比电容、良好的循环稳定性和优良的倍率性能。具体来说,在1 mol/L KOH溶液中,最大比电容可达到225 F/g。在5 a/g电流密度下,5000次循环后比电容保持率为67.31%。     

4,4′-二(1-咪唑基)苯硫醚构筑的镉配合物:合成、晶体结构和性质研究

在水热反应条件下,合成了一个新的镉配合物Cd(BIDPT)₂(NO₃)₂·(H₂O)₂(BIDPT =4,4′-二(1-咪唑基)苯硫醚),经元素分析、红外、热重、单晶衍射表征了化合物.配合物为三斜晶系,P-1空间群,分子量Mr=909.24,a=0.816 4(9) nm,b=1.156 8(1) nm,c=1.179 3(1) nm,α=112.737(1)°,β=107.481(1)°,γ=92.233(2)°,V=0.964 4(2) nm³,Z=1,D_c=1.559 g/cm³,F(000) =458,S =1.074,R₁=0.059 8,ωR₂=0.191 2.配合物中镉离子通过4,4′-二(1-咪唑基)苯硫醚配体桥联成8字型一维链结构.对配合物的热稳定性以及荧光进行了测试,硝基苯化合物对配合物的荧光性质有不同程度的淬灭作用.镉配合物对2,4,6-三硝基苯酚的检测具有很好的灵敏性.     

3种兜兰属植物光合特性的比较研究

通过研究硬叶兜兰(Paphiopedilum micranthum)、带叶兜兰(P.hirsutissimum)和长瓣兜兰(P.dianthum)3种兜兰属植物的光合特性,为其种质资源保育及引种栽培提供理论依据。以广西雅长兰科植物国家级自然保护区内3种兜兰属植物为试验材料,测定其叶片的光响应曲线、CO₂响应曲线以及叶绿素含量,比较3种兜兰光合特性的差异。结果表明：硬叶兜兰、带叶兜兰和长瓣兜兰的最大净光合速率(P_max)分别为2.719 μmol·m^-2·s^-1、1.836 μmol·m^-2·s^-1、2.015 μmol·m^-2·s^-1,光饱和点(LSP)分别为578.74 μmol·m^-2·s^-1 、467.72 μmol·m^-2·s^-1、481.25 μmol·m^-2·s^-1,光补偿点(LCP)均较低,分别为15.65 μmol·m^-2·s^-1、12.79 μmol·m^-2·s^-1、10.34 μmol·m^-2·s^-1,是典型的阴生植物。硬叶兜兰的最大净光合速率(P_max)、CO₂饱和点(CSP)、羧化效率(CE)均显著高于长瓣兜兰和带叶兜兰(P<0.05),硬叶兜兰对CO₂的利用能力更强。叶片叶绿素相对含量(SPAD值)表现为硬叶兜兰(58.13)>长瓣兜兰(55.12)>带叶兜兰(51.88)。3种兜兰属植物的光合能力较弱,对光的利用范围狭窄,在引种栽培时应注意增加荫蔽度。     

3种观赏性石斛的光合特性比较研究

为探明3种观赏性石斛属Dendrobium Sw.植物在光合生理方面的差异,为其栽培及规模化种植提供理论依据。本研究以3种观赏性石斛(叠鞘石斛D.denneanum Kerr.、流苏石斛D.fimbriatum Hook.和束花石斛D.chrysanthum Wall.ex Lindl.)为材料,测定其叶片的光响应曲线、CO₂响应曲线及叶绿素相对含量(SPAD值),探究其光合特性。结果表明,叠鞘石斛、流苏石斛和束花石斛3种石斛属植物的光补偿点(LCP)分别为2.15 μmol·m^-2·s^-1、3.74 μmol·m^-2·s^-1、1.79 μmol·m^-2·s^-1,光饱和点(LSP)分别为995.09 μmol·m^-2·s^-1、679.44 μmol·m^-2·s^-1、712.28 μmol·m^-2·s^-1,LCP均低于5 μmol·m^-2·s^-1,LSP均低于1 000 μmol·m^-2·s^-1,属于典型的阴生植物,具有较强的耐阴性;3种石斛的最大净光合速率(P_max)分别为3.54 μmol·m^-2·s^-1、3.86 μmol·m^-2·s^-1、4.03 μmol·m^-2·s^-1,表观量子效率(AQY)分别为0.042,0.044和0.051,束花石斛的P_max和AQY最大,光合作用能力较强。3种石斛的CO₂响应曲线中,最大净光合速率(A_max)大小依次为叠鞘石斛(11.99 μmol·m^-2·s^-1)、流苏石斛(10.87 μmol·m^-2·s^-1)、束花石斛(4.75 μmol·m^-2·s^-1),叠鞘石斛利用CO₂进行光合作用的能力最强;3种石斛的CO₂饱和点(CSP)无显著性差异,在CO₂浓度不大于2 000 μmol·mol^-1时均未到达饱和点;CO₂补偿点(CCP)具有显著性差异,CCP分别为100.12 μmol·m^-2·s^-1、158.02 μmol·m^-2·s^-1、134.44 μmol·m^-2·s^-1,其中叠鞘石斛的CCP最低,对低浓度CO₂的利用能力最强。3种石斛叶片的SPAD值分别为51.09,56.93和58.06,其高低与其净光合速率的大小有一定程度的相关性。在3种石斛中,束花石斛的光合作用能力最强,对弱光的利用能力较强;流苏石斛对弱光的利用能力较弱,光照适应范围狭窄;叠鞘石斛对强光的利用能力较强,光合作用适应范围较广。此外,3种石斛均具有较强的耐阴性,对CO₂的耐受性也较强,在种植时应提供适当的遮阴和增加CO₂浓度来提高石斛的光合作用能力。     

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.     

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.     

A computer generator for randomly layered structures

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

Perspherical Approaches for Electrons in Atoms and Charged Excitons in Quantum Wells

Instead of following Fock’s expansion,we solve the Schrodinger equation for some quantum mechanical manybody systems such as electrons in atoms and charged excitons in quantum wells in a similar way in hyperspherical coordinates by expanding the wave functions into orthonormal complete basis sets of the hyperspherical hannonics(HHs)of hyperangles and generalized Laguerre polynomials(GLPs)of the hyperradius.This leads the equation to     

Advances in broadband wireless communications under high-mobility scenarios

Future mobile communication systems aim at providing very high data transmission rates, even in high-mobility scenarios such as high-speed wheel-track trains, maglev trains, highway vehicles, airplanes, guided missiles or spacecraft. A particularly important commercial application is the strong and increasing worldwide demand for high- speed broadband wireless communications （up to 574.8 km/ h test speeds or 380 km/h commercial speeds） in railways, providing data, voice and video services for applications such as onboard entertainment services to passengers, train control, train dispatch, train sensor status handling and sur- veillance. In such high-mobility scenarios, there are a number of communication challenges, including fast hand- over, location updating, high-speed channel modeling, estimation and equalization, anti-Doppler spreading tech- niques, fast power control, and dedicated network architec- ture. Because signal transmission in very high-speed scenarios will inevitably experience serious deterioration, it is imperative to develop key broadband mobile communi- cation techniques for such high-speed vehicles.     

Wuhan University Journal of Natural Sciences TOTAL CONTENTS

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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。     

Scale-based spatial data model for GIS

Being the primary media of geographical information and the elementary objects manipulated, almost all of maps adopt the layer-based model to represent geographic information in the existent GIS. However, it is difficult to extend the map represented in layer-based model. Furthermore, in Web-Based GIS, It is slow to transmit the spatial data for map viewing. In this paper, for solving the questions above, we have proposed a new method for representing the spatial data. That is scale-based model. In this model we represent maps in three levels: scale-view, block, and spatial object, and organize the maps in a set of map layers, named Scale-View, which associates some given scales.Lastly, a prototype Web-Based GIS using the proposed spatial data representation is described briefly.     

Exciton Seebeck in Molecular Systems

Various applications relevant to the exciton dynamics,such as the organic solar cell,the large-area organic light-emitting diodes and the thermoelectricity,are operating under temperature gradient.The potential abnormal behavior of the exicton dynamics driven by the temperature difference may affect the efficiency and performance of the corresponding devices.In the above situations,the exciton dynamics under temperature difference is mixed with     

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