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91.
V. B. Sokolov A. N. Chekhlov T. A. Epishina I. V. Martynov 《Russian Chemical Bulletin》1992,41(2):236-240
The O-(arylcarbamoyl)butyrhydroximoyl chlorides were synthesized, and the x-ray structural analysis (XSA) of one of them — O-(o-tolylcarbamoyl)butyrhydroximoyl chloride — was performed. It was established from the data of the XSA and the PMR spectra that all synthesized compounds are the Z isomers.Institute of Physiologically Active Substances, Russian Academy of Sciences, 142432 Chernogolovka. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 2, pp. 315–319, February, 1992. 相似文献
92.
We study theoretically a nonlinear response of the planar metal/dielectric nanostructures constituted from periodical array
of ultra thin silver layers and the layers of Kerr-like nonlinear dielectric. We predict hysteresis-type dependences of the
components of the tensor of effective dielectric permittivity on the field intensity allowing the change in material transmission
properties from transparent to opaque and back at extremely low intensities of the light. It makes possible to control the
light by light in all-optical nanoscale devices and circuits. 相似文献
93.
Praveen K. Tandon Gayatri Sumita Sahgal Manish Srivastava Santosh B. Singh 《应用有机金属化学》2007,21(3):135-138
Catalytic activities of three transition metals, as iridium (III) chloride, rhodium (III) chloride and palladium (II) chloride, were compared in the oxidation of six aromatic aldehydes (benzaldehyde, p‐chloro benzaldehyde, p‐nitro benzaldehyde, m‐nitro benzaldehyde, p‐methoxy benzaldehyde and cinnamaldehyde), two hydrocarbons (viz. (anthracene and phenanthrene)) and one aromatic and one cyclic alcohol (cyclohexanol and benzyl alcohol) by 50% H2O2. The presence of traces (substrate: catalyst ratio equal to 1:62500 to 1:1961) of the chlorides of iridium(III), rhodium(III) and palladium(II) catalyze these oxidations, resulting in good to excellent yields. It was observed that in most of the cases palladium(II) chloride is the most efficient catalyst. Conditions for the highest and most economical yields were obtained. Deviation from the optimum conditions decreases the yields. Oxidation in aromatic aldehydes is selective at the aldehydeic group only and other groups remain unaffected. This new, simple and economical method, which is environmentally safe, also requires less time. Reactive species of catalysts, existing in the reaction mixture are also discussed. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
94.
Hong Ming ZHANG Xian Hong WANG Xiao Jiang ZHAO Ji LI Fo Song WANG 《中国化学快报》2006,17(4):437-440
A novel method for the preparation of oligothiophene molecular wires is described via a bi-directional solid-phase synthesis. Using an alternating sequence of bromination and Stille coupling reactions, oligomers were obtained up to the heptamer in excellent yield and purity. 相似文献
95.
The melting curve of MgSiO分子动力学 MgSiO3钙钛矿 熔化温度 高压 melting temperature, molecular dynamics, high pressure Project supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01). 2005-01-12 5/8/2005 12:00:00 AM The melting curve of MgSiO3 perovskite is simulated using molecular dynamics simulations method at high pressure. It is shown that the simulated equation of state of MgSiO3 perovskite is very successful in reproducing accurately the experimental data. The pressure dependence of the simulated melting temperature of MgSiO3 perovskite reproduces the stability of the orthorhombic perovskite phase up to high pressure of 130GPa at ambient temperature, consistent with the theoretical data of the other calculations. It is shown that its transformation to the cubic phase and melting at high pressure and high temperature are in agreement with recent experiments. 相似文献
96.
使用“对称性匹配簇-组态相互作用”方法,对Li2分子三重态的第一激发态、LiH分子的基态、单重态的第一和第二激发态的几何构型与谐振频率进行了优化计算.利用“群操作求和”方法分别对这4个态进行单点能扫描计算,并拟合出了相应各态的Murrell-Sorbie势能函数.使用多种方法对Li2H分子的基态结构进行优化,并用优选出的密度泛函(B3P86)方法对该分子进行了进一步的频率计算.结果发现Li2H分子的基态稳态结构为C2v构型,在此基础上用多体项展式理论导出了它的解析势能函数,其等值势能图准确再现了Li2H分子的结构特征和离解能.首次报导了该分子对称伸缩振动等值势能图中存在的两个对称鞍点,对应于反应LiH Li→Li2H,活化能大约为18.7×4.184 KJ/mol. 相似文献
97.
Wen Bin CUI Jie ZHOU Lei CHEN Xiao Bin DENG Chun GUO 《中国化学快报》2006,17(8):999-1001
Metal porphyrins are natural antioxidant reagent1-3. However, due to the characteristics of structures, they are only soluble in inorganic acids and part of polar organic solvents. Thus, it is limited to be used as effective pharmaceutical preparations. T… 相似文献
98.
99.
采用改进分析型嵌入原子法计算了Pt(110)表面自吸附原子的能量和法向力.当Pt吸附原子位于Pt(110)表面第一层原子的二重对称洞位上0.11nm时最稳定.Pt吸附原子的最佳迁移路径是由一个二重对称洞位沿密排方向迁移到最近邻的另一个二重对称洞位.在吸附原子远离表面的过程中,将依次经过排斥、过渡和吸引等三个区域.在排斥区和过渡区,由于吸附原子与表面原子间强的相互作用势,吸附原子的能量和法向力的形貌图均为(110)面原子排列的复形,与对势理论和嵌入原子法得到的结果一致.在吸引区,由于多体相互作用及晶体中原子
关键词:
金属表面
自吸附
能量
力 相似文献
100.
载能离子穿过固体界面引起界面原子迁移使界面原子混合和物质成分变化,从而导致界面发生材料相变。简要介绍了载能离子辐照引起金属/绝缘体界面混合效应及相变现象的主要实验研究进展、低能离子和高能离子辐照引起金属/绝缘体界面现象差异,并对离子辐照引起界面混合及相变的机制进行了初步探讨。When penetrating an interface between two kind of solids, energetic ions can induce atomic diffusion at both sides of the interface and then result in intermixing, atom re-distribution or composition change, as well as phase transformation. Main progress on the study of intermixing and phase change at metal/insulator interface induced by energetic ion irradiations, the difference of phenomena occurred at metal/insulator interfaces induced by high-and low-energy ions were briefly reviewed. Furthermore, the possible mechanisms related to intermixing and phase change at metal/insulator interface produced by energetic ion irradiations were also discussed in short words. 相似文献