赤霉素A环重排反应催化剂研究

 简介了赤霉素A环的重排反应,即1,2位及1,10位之间双键的移动及相应内酯环的重排.在利用重排反应构建赤霉素A环的1,2位双键时,首次发现商品化试剂苯基二氯化硼与二苯基溴化硼及二甲基溴化硼一样可用于催化此反应.     

Effect of density of hydrogen-bonding donor on hydrogen-bonded multilayer buildup

The effect of density of hydrogen-bonding donor （HBD） on the formation of layer-by-layer assemblies of poly（4-vinylpyridine） and poly（4-vinylphenol） was investigated. For this purpose, a series of ethyl-substituted poly（4-vinylphenol） （EsPVPhf） with variable ethyl substitute percentage was synthesized by grafting the phenol moiety along the poly（4-vinylphenol） backbone with 1-bromoethane. UV-vis spectroscopy revealed a uniform deposition process of the hydrogen-bonded multilayer consisting of poly（4- vinylpyridine） （PVPy） and EsPVPhf with variable density of HBD. Notably, it was found that increasing the HBD density of EsPVPhf resulted in a marked decrease of both amount of polymers adsorbed and film thickness, which should be related to the EsPVPhf conformation change from coiled state to extended conformation in ethanol solution. Compared with the effect of charge density in polyelectrolyte multUayer, however, there does not exist a critical density of HBD in our case of hydrogen-bonded multilayer assembly. In addition, surface structures of PVPy/EsPVPhf multilayer films also can be tailored controllably by adjusting HBD density of EsPVPhf. As a result, a new method for tuning the structure of hydrogen-bonding-directed multilayer films was developed.     

CO(■∏,v=3)转动传能中Λ-相关的量子干涉效应

理论模型基于一级含时波恩近似,考虑各项异性相互作用势,在此基础上给出了原子与1∏态双原子分子体系的积分干涉角.     

M(II)-氨基酸水杨醛席夫碱-ATP三元配合物稳定性研究

用pH电位滴定法测定了Zn2+,Cu2+,Ni2+和Co2+与氨基酸水杨醛席夫碱及ATP形成的三元配合物的稳定常数,发现logβ111与pk2之间存在很好的线性自由能关系,研究了三元配合物中配体间的疏水相互作用.     

Synthesis, characterization and properties of diamidodisilanes and azocyclosilane

Organosilicon compounds have been widely researched and have the maximum species besides hydrocarbons. In the progress of the research work, many scientists pay attention to the organic silicon compounds that have vari-ety reactive functional groups[1,2]. The difunctional disi-lanes are very active; they could react with not only the compounds containing reactive hydrogen atoms, but also the reactive polymers. Therefore, the disilanes with di-functional groups could be used as disilane substit…     

Br+C2H4→CH2CHBr+H的从头计算研究

用MP2方法，6-311＋G（d，p）基组，研究了反应Br＋GH4→CH2CHBr＋H的可能反应路径和过渡态以及中间体CH2BrCH2的分解过程．给出了最可能的反应路径及相应的反应物、过渡态和产物零点能修正后的能量．     

预测沥青混合料疲劳寿命的耗散能方法

沥青混凝土路面疲劳寿命预测对路面的设计、施工具有重要的意义。在实验的基础上,对耗散能理论预测方法的基本原理、影响因素、控制因素以及内部机理进行了分析和研究,并根据分析结果探讨了沥青混合料疲劳寿命的综合控制参数。     

N＋NO2反应动力学研究

采用UMP2(full)/6-31G*方法从理论上对N和NO2的反应进行了研究,计算了各反应通道上所有驻点的构型参数和振动频率,根据相对的G2MP2能量绘制的势能剖面图详细给出了N和NO2的反应机理.在此基础上,应用经Wigner校正的Eyring过渡态理论计算了在280~1 500 K温度范围内,1大气压下该反应3个反应通道的活化热力学量、反应速率常数、频率因子.计算结果表明:N NO2→IM→TS1→N2 O2是主要反应通道,N2和O2为主要产物.     

有限元-界面元混合模型及其应用

推导得出了一个简化过渡界面单元的单元刚度矩阵．采用界面元-有限元的混合模型来模拟三堆土-结构体系，并采用一致边界来模拟波向无穷远城地基的传播作用．然后壕制了一个可用于进行三堆土-结构非线性地震反应分析的程序，并用谊程序对一框架结构进行了考虑土-结构相互作用影响的地震反应分析．最后总结了各种非线性因素和土-结构相互作用效应时结构地震反应的影响规律．图11。参9．     

磺化四(1,4-二噻英)四氮杂卟啉铁的合成及初步表征

用氯磺酸作磺化剂,在四（1,4-二噻英）四氮杂卟啉铁配合物外围功能基对-二噻英环上发生直接取代反应,合成了水溶性良好的多取代磺化（1,4-二噻英）四氮杂卟啉铁配合物（简写为FeSPz（dtn）4）.并对磺化产物进行UV-Vis,IR,1HNMR和XPS等结构表征.