Synthesis,Structure,Fluorescent Property and Natural Bond Orbital（NBO） Analysis of a One-dimensional Cobalt（III） Complex Containing 1,3-Benzenedicarboxylate and 2-Methyldipyrido[3,2-f：2＇,3＇-h]quinoxaline Ligand

A novel metal-organic coordination polymer [Co(m-BDC)(Medpq)·2H2O]n(m-H2BDC = benzene-1,3-dicarboxyalic acid,Medpq = 2-methyldipyrido[3,2-f:2',3'-h]quinoxaline) has been hydrothermally synthesized and structurally characterized by elemental analysis,IR spectrum and single-crystal X-ray diffraction.The title compound crystallizes in monoclinic,space group C2/c with a = 19.986(4),b = 15.789(3),c = 16.292(3),β = 126.54(3)°,V = 4130.3(14)3,C23H18N4O6Co,Mr = 505.34,Dc = 1.625 g·cm-3,Z = 8,μ = 0.883 mm-1,F(000) = 2072,the final R = 0.0772 and wR = 0.1428.The crystal structure of complex 1 is an infinite zigzag-like chain of hexacoordinate Co3+ ions,in which the Co3+ ions are bridged in two coordination modes by m-BDC2+ ligands and decorated by Medpq ligands,showing a slightly distorted octahedral geometry.Additionally,the compound shows strong fluorescence in the solid state at room temperature.Natural bond orbital(NBO) analysis is performed by using the NBO method built in Gaussian 03 Program.The calculation results show a covalent interaction between the coordinated atoms and Co3+ ions.     

Mg-Al 类水滑石/二氧化钛异质复合纳米晶光催化氧化苯的性能

 采用过饱和沉淀法合成 n(Mg)/n(Al) = 2 的 Mg-Al 类水滑石化合物 (Mg-Al-HT), 再用水热法将它与钛胶复合, 制得 Mg-Al-HT/TiO2 异质复合光催化剂. 采用 X 射线粉末衍射、透射电子显微镜、场发射扫描电子显微镜、低温 N2 吸附-脱附、紫外-可见漫反射光谱和热重等技术对催化剂结构、成分和性质进行了表征. 结果表明, 在波长 365 nm 的紫外光照射降解苯的反应中, Mg-Al-HT/TiO2 异质复合光催化剂表现出优于单一的 TiO2 或 Mg-Al-HT 催化剂的光催化活性, 且稳定性更高; 同时讨论了该复合催化剂性能优异的原因. 另外, 运用电子顺磁共振技术检测到体系中存在羟基自由基等活性物种, 并据此提出了 Mg-Al-HT/TiO2 异质复合纳米晶催化剂光催化降解苯的反应机理.     

拟Z-连续domain和Z-交连续domain

对一般子集系统Z,引入了Rudin性质、拟Z-连续domain及Z-交连续 domain的概念,讨论了它们的基本性质.特别是Z-连续性、拟Z-连续性、 Z-交连 续性和Z-Lawson拓扑之T2性之间的相互关系. 证明了当子集系统Z满足一定条件 时,拟Z-连续domain P上的Z-way below关系Z具有插入性质, P上的Z-Lawson 拓扑λZ(P)是T2的,且P可用Z-Lawson同态嵌入到某方体之中.文中给出了一个 domain P,其上的Lawson拓扑λ(P)是T2的,但P不是拟连续性domain.     

边界局域模对EAST钨偏滤器靶板腐蚀程度的数值模拟研究

在高约束模式下发生的边界局域模会释放高能量等离子体,其中主要部分会辐照到面积相对较小的偏滤器靶板,偏滤器钨靶板发生热腐蚀的可能性最大.本文建立了包括了熔化、汽化和热辐射效应的一维热传导模型,采用数值模拟的方法,研究了EAST未来偏滤器钨靶板在边界局域模作用下的热腐蚀程度.根据现有的边界局域模热流数据和多种未来可能的高能量边界局域模热流数据,计算了钨靶板的表面温度分布.结果显示当前的第一类边界局域模作用在钨靶板上,在高约束模式运行时间取32 s情况下,靶板表面温度从350 K增加到373 K,表明在当前的参数范围内,只要避免其他更严重的瞬时事件如破裂的发生,边界局域模还不会带来严重的威胁;如果边界局域模的能量增加到接近未来托卡马克边界局域模的能量范围1 MJ/m2,沉积时间为600μs,表面最大熔化厚度将达到6.8—6.9μm.     

Analysis of speckle reduction based on theory of optical eigenfunction

The principle of optical eigenfunction is used in the analysis of speckle reduction in laser projection display.When the moving diffiuser is used in the speckle reduction approach,the speckle contrast is decided by both the degree of freedom (DOF) of the projector and the area of resolving cell of the eyes on the screen.It can gain high DOF of the projector by increasing the space-bandwidth product,i.e.,adopting a projection lens with a high numerical aperture or a large viewing field.The best scheme is equalizing the DOF of the scattering wave from a moving diffiuser to that of the projection lens.The experimental results are in accordance with the conclusion drawn by optical eigenfunction.     

基于多任务委托代理模型的导游动态薪酬契约设计

旅游服务质量是旅游业可持续发展的重要决定因素,如何通过设计合理的薪酬契约激励导游努力提高服务质量是现今旅行社面临的难题。基于Holmstrom提出的多任务代理模型,考虑导游的纵向多任务特性,将导游投入划分为追求当期业绩和追求服务质量的旅行社声誉建设两个维度的多任务问题,导游的服务绩效由其个人业绩和服务质量决定,以此为基础构建了多周期动态契约,与没有考虑服务质量投入的单周期静态契约进行比较分析,最后给出了其数值仿真结果。结果表明:本文所提多周期动态契约对旅行社和导游双方具有明显的帕累托效率改进,且从长远来看,对旅行社声誉的提高以及游客满意度的提升效果显著。     

Electronic and thermoelectric properties of Mg_2Ge_xSn-_(1-x)(x=0.25,0.50,0.75) solid solutions by first-principles calculations

The electronic structure and thermoelectric(TE) properties of Mg_2Ge_xSn_(1-x)(x = 0.25, 0.50, 0.75) solid solutions are investigated by first-principles calculations and semi-classical Boltzmann theory. The special quasi-random structure(SQS) is used to model the solid solutions, which can produce reasonable band gaps with respect to experimental results.The n-type solid solutions have an excellent thermoelectric performance with maximum zT values exceeding 2.0, where the combination of low lattice thermal conductivity and high power factor(PF) plays an important role. These values are higher than those of pure Mg_2Sn and Mg_2Ge. The p-type solid solutions are inferior to the n-type ones, mainly due to the much lower PF. The maximum zT value of 0.62 is predicted for p-type Mg_2Ge_(0.25)Sn_(0.75) at 800K. The results suggest that the n-type Mg_2Ge_xSn_(1-x) solid solutions are promising mid-temperature TE materials.     

Cu2+离子注入的石英光波导的特性研究

利用Cu2+离子注入的方式在熔融石英和石英晶体上分别制备了平面光波导结构.通过棱镜耦合实验测试了两种光波导的导模特性,结果表明:在同样的注入条件下熔融石英上形成了增加型的光波导结构,而石英晶体上形成了位垒型的光波导结构.研究了退火温度对两种光波导导模折射率的影响,熔融石英光波导中导模的折射率随着退火温度的升高而降低,而石英晶体光波导中导模的折射率随着退火温度的升高先增加后降低.为了进一步分析离子注入两种材料形成光波导的微观机理,利用SRIM模拟了Cu2+离子注入两种材料的电子能量损失和核能量损失,并且模拟了两种光波导结构的折射率分布.模拟结果表明:熔融石英光波导的主要形成原因是离子注入表面的折射率大于其体材料的折射率,而石英晶体光波导的主要形成原因是离子射程末端的折射率小于其体材料的折射率.因此,在熔融石英光波导的形成中电子能量损失起主要作用,而在石英晶体光波导的形成中核能量损失起主要作用.     

含典型氟-氢邻近与远程耦合的混合物的核磁共振氢谱示例

Two serials of tetrasubstituted benzene compounds containing fluoro group were designed and synthesized. The other three substitutes are sequentially the para, meta, and ortho to fluoro group. The obtained compounds were all mixtures as confirmed by ¹H NMR spectroscopies. The spectra clearly show the proximity and remote interaction between fluorine atom and hydrogen atom. In addition, the two spectra, one showing the overlapping peaks, one not, can be used as the simple and typical example of ¹H NMR spectra of mixtures.     

（Sr,Ba）Al12O19∶RE^3＋（RE=Ce,Tb）的VUV发光及Ce^3＋→Tb^3＋的能量传递

采用高温固相反应合成磁铅矿型(Sr,Ba)Al12O19∶RE3 (RE=Ce,Tb)发光材料,X射线衍射结果证明生成单一磁铅矿型结构。Ce3 产生302nm的发射峰和340nm左右的不太明显的肩,分别对应于5d→2F5/2和5d→2F7/2跃迁;激发光谱显示两个宽带峰,158nm峰对应于基质吸收,260 nm峰是由4f-5d跃迁引起的。Tb3 的发射光谱显示特征的5D3→7Fj(j=2,3,4,5)和5D4→7Fj(j=4,5,6)跃迁;在激发光谱中,160nm左右的峰是由基质吸收和Tb3 -O2-电荷迁移带交迭产生的,193nm峰是Tb3 的4f-5d自旋允许跃迁引起的,233nm弱的峰是自旋禁戒4f-5d跃迁产生的。Ce3 的发射和Tb3 的f-f跃迁吸收(~320 nm)完全交迭,并且Tb3 的发光强度随Ce3 的浓度增加而增强,从激发光谱看出,Tb3 发光部分来自于Ce3 的吸收,具有Ce3 →Tb3 能量传递。