Electron Transfer Reaction between M-C_6H_6 and M~ -C_6H_6 Complexes in the Gas Phase: Density Functional Theory Study

Significant progress has been made in understanding the nature of the transition state andthe paths for electron transfer, especially the influences of environmental factors and themolecular properties on the electron transfer rate. These classical and semi-classical, aswell as quantum-mechanical theory, have been very successful in rationalizing severalstructure-reactivity relationships and in predicting novel features of reactivity. Thesemodels established some links between the electron tra…     

2-苄硫基-5,7-二甲氧基-1,2,4-三唑并[1,5-a]嘧啶的合成研究

2-苄硫基-5，7-二甲氧基-1，2，4-三唑并[1，5-a]嘧啶（Ⅲ）是磺草唑胺（metosulam）及1，2，4-三唑[1，5-a]嘧啶醚类超高效除草剂的重要中间体．由5-氨基-3-苄硫基-1，2，4-三唑（Ⅰ）为起始原料，经环合、氯代一步反应制得2-苄硫基-5，7-二氯-1，2，4-三唑并[1，5-a]嘧啶（Ⅱ）．优化试验发现90℃、丙二酸与（Ⅰ）摩尔比为1．1：1、反应20h时收率达85％以上．（Ⅱ）与甲醇钠进行置换反应制得（Ⅲ），对反应温度和物料配比进行了优化试验，发现25℃、甲醇钠与（Ⅱ）的摩尔比为5：1时收率达到90％以上．中间体（Ⅱ）、（Ⅲ）的结构经^1H-NMR、MS、IR确证．该方法原料易得、操作简便，总收率较高．     

Synthesis and Structure of E-2-(2,4,6-tri tert butylphenylphosphinyl)-2-〔N-(tert-butyldimethylsilyl)-N-(p-chrolophenyl)〕amino-1-(2,4,6-tri tert-butyl-phenyl)phosphacthylene

1　INTRODUCTIONItwaswellknown thatelementsofthesecondary and higherrow are in generaldifficulty to form multiplebondsin which apπ hybridized stateisinvolved〔1〕.Thus,simple compounds containing multiple phosphorus carbon bonds,such as methyl dynephosphine( HC≡P) 〔2 - 3〕 and methylenephosphine( H2 C=PH〔4〕,are notstableat room temperature.Three methods to stabilize compounds containing double ormultiple bond involving phosphorusatom in the pπ hybridized state are often used.The f…     

Synthesis and Isolation of Diastereomers of Optically Active Cyclomercurated Ferrocenylimines

IntroductionOrganomercurials have been used extensively in organic synthesis and synthesis of other organometallics due to their ability to accommodate practically all the important organic functional groups and their ease in undergoing transmetallation for syntheses of transition metal organometallics which are very useful in organic synthesis. Recently, we reported the synthesis of optically active 1,2-disubstituted cyclomercurated ferrocenylimines by transmetallation reaction of planar chir…     

Study on Fluorescence Property of Sparfloxacin Derivatizing System and its Application

Spartloxacin (SPFX) is the fourth generation of the antibacterial quinolones. Due to itsintensive and efficient antibacterial activity compared to the common quinolones '. it hasbeen widely used in clinical practice. Nevertheless. because of the structural dit'ferencesbetween SPFX and other quinolones. the fluorescence of SPFX is so weak that it can notbe determined by means of fluorescence spectra. Hence, it will be of great interest tomake a detailed study on its fluorescence enhancemen…     

网络的超星分形生长模型

随着信息产业国际化趋势的发展，广域网理论的研究显得越来越重要，中提出了网络的分形生长结构模型和生长方法，从全新的角度讨论广域网的生长、发展的过程。该结构模型将是描述互连广域的重要工具。     

Preparation and third-order nonlinear optical properties of self-organized complex oxide Ce:BaTiO3 quantum dots

Pulsed laser ablation epitaxial Strancky-Krastanow growth of self-organized complex oxide Ce:BaTiO3 quantum dots on MgO(100) substrates is demonstrated.Atomic force microscopy and X-ray diffraction are used to observe the structure and the growth process of the self-organized complex oxide quantum dots.The average dimension,height,and the density of self-organized complex oxide Ce:BaTiO3 quantum dots are given.The nonlinear refractive indexes of the wetting layer and the self-organized ordered quantum dots are determined by the single beam Z-scan method.The mechanisms of the nonlinear effect enhancement for these low-dimensional structure are discussed.     

β-D-葡萄糖残基负载的水溶性NADH辅酶模型物的设计与合成

以烟酸为起始原料,设计并合成了一系列葡萄糖残基负载的水溶性NADH辅酶模型物,其结构经1H NMR表征.     

BEPC-LINAC试验束上1GeV/c多粒子磁谱仪的设计和性能测量

试验束上2Q2D结构的磁谱仪系统由2块二极磁铁和2块四极磁铁以及位置灵敏探测器组成.该磁谱仪的接收立体角5×10^–4sr,动量范围0.2—1.3GeV/c.测量了聚焦面上的束流截面和动量谱.介绍了一种测量电子与质子飞行时间差的动量测量方法.     

C2H4对臭氧氧化NO影响的试验研究

用管式反应器试验研究了碳氢对臭氧氧化NO的影响．试验在不同反应温度、[O3]／[NO]摩尔比以及碳氢浓度下进行．结果表明，C2H4对NO氧化成NO2有促进作用，在275℃时，NO氧化率和N02生成率有较明显提高．在[03]／[NO]=0．6，反应温度分别为常温、200℃和275℃时，加入400×10^-6C2H4，NO2生成率由56．5％、55．9％和38．0％分别提高到62．1％、60．0％和42％．在试验中，检测到了CO，当[O3]／[C2H4]为1．0时，在常温、200℃、275℃下，体系中CO浓度小于30×10^-6，说明C2H4确实参与了反应．C2H4对NO氧化的促进作用的机理是：在275℃时，臭氧分解速率显著提高，在氧存在的气氛下，烯烃易与O3反应，反应产生了更多活性很强的自由基（CH3O2、OH、HO2）等，而这些自由基均可与NO反应，从而弥补了由于臭氧自身分解的加速使NO氧化率的下降，即在加入C2H4后，在温度较高时仍能达到NO的较高氧化率．