以Schiff碱为阳离子的新型离子液体的制备与表征

Two novel ionic liquids, N,N＇-disalicylideneethylenediaminium acetate and N,N＇-disalicylideneethylenediaminium trifluoroacetate, were prepared and characterized by IR, ^1H NMR, DTA-TG and elemental analysis. The experimental results indicate that the new ionic liquids possess lower melting point and higher electrical conductivity. It is noteworthy that the ionic liquids reported herein are the first member of the ionic liquid family with the Schiff base functional group in the cation.     

原子簇化合物[WS4Cu3Br(bipy)2]的晶体结构和非线性光学性质

The title cluster compound [WS₄Cu₃Br(bipy)₂] has been synthesized by the reaction of (NH₄)₂[WS₄]， CuBr and 2，2′-bipy in DMF solution. Single crystal X-ray diffraction data show that the compound has a nest-shaped structure. Nonlinear optical properties (NLO) of the cluster were investigated by a Z-scan technique with a pulsed laser at 532nm. The cluster exhibits the strong NLO absorption and a self-defocusing effect (effective non-linear absorption coefficient， α₂^eff=7.3×10^-11mW^-1; effective non-linear refractive index， n₂^eff=3.9×10^-11esu) when measured in a 6.0×10^-4mol·dm^-3 DMF solution. CCDC： 200397.     

低浓度甲烷甲醇深度氧化Ag/La0.6Sr0.4MnO3催化剂

Ag-modified La0.6Sr0.4MnO3 catalysts were prepared and their catalytic performance for deep oxidation of CH4 and CH3OH at low concentrations were investigated. The results showed that the La0.6Sr0.4MnO3 host catalyst with the perovskite-type nano-crystallite structure displayed considerably high catalytic activity for deep oxidation of CH4 and CH3OH at low concentrations. Ag modification to the La0.6Sr0.4MnO3 host catalyst resulted in significant enhancement of the catalyst activity, making the T95 (the reaction temperature needed for conversion of 95%of CH4 or CH3OH) lowered down to 735K (for CH4) and 421K (for CH3OH) from 813 and 465 K over the Ag-free system under the reaction conditions:0.1MPa,CH4/O2/N2=2/12/86(molar ratio),GHSV=45000 h-1 and CH3OH/O2/N2= 0.2/1.0/98.8 (molar ratio),GHSV=58000 h-1,respectively.The carbon containing product was almost CO2 and the contents of HCHO and CO in the reaction exit gas were both under GC detectable limit in both cases.
The results of spectroscopic characterization indicated that modification by proper amount of Ag-dopant did not change the perovskite structure of the La0.6Sr0.4MnO3 host catalyst as a whole. Interaction of Ag-dopant with the surface of the host catalyst,La0.6Sr0.4MnO3,was in favor of high dispersion of the Ag component at the catalyst surface and led to the oxidation of part of the Mn3+species to Mn4+,resulting in an increase of amounts of the reducible Mnn+ species and a decrease of their reduction temperature. On the other hand, this interaction led also to enhancement of adsorption ability of the catalyst toward O2 at relatively low temperature. High activity of the Ag modified La0.6Sr0.4MnO3 catalyst for CH4 and CH3OH complete oxidation was closely related to high redox-activity of the catalyst and its prominent adsorption-activation ability to O2 at relatively low temperatures.     

CaSiO3从熔体到玻璃的结构和拉曼光谱性质研究

采用分子动力学模拟以及一种计算拉曼谱的新方法研究了CaSiO₃从高温熔体淬火到室温玻璃态的过程中微结构性质和拉曼谱的变化。在结构变化中，主要是键长随温度的降低而缩短，并且Si-O_b键长的下降幅度明显比Si-O_nb的下降幅度大，另外Si-O_b和Si-O_nb两种键的物质的量分数的变化说明温度的降低使体系的无序度降低。随着温度的降低，偏拉曼谱中表征5种Q_i的强特征峰的频率都呈上升趋势，而且基本与温度呈一个直线关系。计算结果还证实，温度对拉曼散射系数没有影响。得到的拉曼散射系数的两个比值分别为：S₃/S₂=0.3987和S₂/S₁=0.4801，与实验值吻合得非常好。     

具有生物活性的有机硅化合物的研究 Ⅹ.3-(三甲硅基)丙基硫代(N-取代)乙酰胺的合成和质谱研究

本文合成了15个3-(三甲硅基)丙基硫代(N-取代)乙酰胺类化合物.通过对这些化合物的红外光谱和核磁共振(~1H,~(13)C)谱的研究,确证了它们的表征结构.质谱数据表明,这类化合物的裂解机理主要取决于硅烷、酰胺和硫醚的断裂方式.这类化合物的毒性较大,不利于用作抗癌试验.     

中科院物理所自旋霍尔效应研究取得重要进展

中国科学院物理研究所的方忠研究员和姚裕贵副研究员合作在自旋霍尔效应上开展了深入而广泛的探索，并取得了一些创新成果。他们利用第一性原理方法计算了半导体和简单金属的自旋霍尔电导率，发现内秉白旋霍尔电导率具有丰富的符号变化，这一点和外秉自旋霍尔效应有着本质上的不同，这个属性有可能被用于分辨自旋霍尔效应的内秉和外秉机制。他们还首次预言了钨和金具有较大的自旋霍尔效应且符号相反，同时发现强散射并不会拟制这两种金属中的自旋霍尔效应，也就是说在强散射情形下自旋霍尔电导率仍然具有较大的值，这使得它们有可能是一种潜在的可应用于自旋电子学器件中的材料。     

用矢量图解法求解力学问题

在众多的力学问题中，有一部分问题用代数法处理很烦琐，甚至不得其解．若用矢量图解法就十分简单．     

SF6气体间隙开关激光触发延迟的数值模拟

 建立了激光触发SF₆气体间隙开关的0维数值模型，数值计算结果与国内外实验进行了比较，计算的延迟时间与实验结果符合较好。在充气压力一定时，延迟时间随激光能量、工作电压比的增加而减小，并且延迟时间-工作电压比的曲线斜率也是随激光能量和工作电压比的增加而减小的。当激光能量一定时，延迟时间随充气压力的减小和电压的增加而减小, 并且不同充气压力的延迟时间随电压变化的曲线斜率是随电压的增加而减小的。但是，等电压压力比值情况下,延迟时间是随充气压力的增加而减小的。