Coral reef-like polyanaline nanotubes prepared by a reactive template of manganese oxide for supercapacitor electrode

Coral reef-like PANI nanotubes composed of nanopaticles were successfully synthesized by a reactive template of manganese oxide.The structure was characterized by using SEM,TEM,and FT-IR,and the supercapacitive behaviors of these nanotubes were investigated with cyclic voltammetry（CV）,and charge-discharge tests,respectively.A maximum specific capacitance of 533 F/g could be achieved in 1mol/L aqueous H₂SO₄ with the potential range of -0.2 to 0.8 V（vs.the saturated calomel electrode） in a half-cell setup configuration for PANI electrode,suggesting its potential application in the electrode material for electrochemical capacitors.     

Inverse hydrogen bonds between SiH_4 and hydrides of Na,Mg and Be

The optimized geometries of the three complexes between MeHn (Me=Na,Mg,Be;n=1 or 2) and SiH4 have been calculated at the B3LYP/6-311++g**,MP2/6-311++g(3df,3pd) and MP2/aug-cc-pvtz levels,respectively.The red-shift inverse hydrogen bonds (IHBs) based on Si-H,an electron donor,were reported.The calculated binding energies with basis set super-position error (BSSE) correction of the three complexes are-5.98,-8.65 and-3.96 kJ mol-1 (MP2/6-311++g(3df,3pd)),respectively,which agree with the results obtained via M...     

Density functional theory study of the mechanism of the acid-catalyzed decarboxylation of pyrrole-2-carboxylic acid and mesitoic acid

The mechanisms of the acid-catalyzed decarboxylation of pyrrole-2-carboxylic acid and mesitoic acid have been investigated based on density functional theory calculations at the B3LYP/6-311G (d,p) level. A polarizable continuum model (PCM) has been established in order to evaluate the effects of solvents on these reactions. The results of the calculations indicate that the first step of the acid-catalyzed decarboxylation of the pyrrole-2-carboxylic acid has two possible pathways,that is,the proton of H3O+ a...     

镍钛记忆合金自补偿磨粒磨损性能研究

研究了高临界温度镍钛记忆合金一维自补偿磨粒磨损特性.结果表明,在一定温度下,镍钛记忆合金在摩擦过程中具有形状恢复能力,从而产生一维磨损自补偿作用.超弹状态镍钛记忆合金具有热弹性马氏体相变、高阻尼、应力感生马氏体、超弹性、高应变硬化指数和时效弥散析出强化等特性,这使得硬度较低的镍钛合金的耐磨性能远优于硬度较高的淬火45#钢.利用超弹状态镍钛记忆合金的磨损自补偿作用可望开发出新型抗磨形状记忆合金产品.     

Intermolecular cyclocondensation reaction of 3,4-dihydropyrimidine-2-thione under the Mitsunobu reaction conditions

A self-intermolecular cyclocondensation reaction of 3,4-dihydropyrimidine-2-thione(DHPM) to give a novel tricyclic structure containing DHPM core in the presence of diethyl azodicarboxylate(DEAD) and triphenylphosphine(TPP) at room temperature is reported.     

EFFECT OF MORPHOLOGICAL STRUCTURE OF AMINOMETHYL POLYSTYRENE RESIN ON THE CATALYTIC PROPERTIES OF POLYMERSUPPORTED RUTHENIUM COMPLEXES

Polymer-supported ruthenium complexes ■-Phen-Ru-①,■-Phen-Ru-②,■-Phen-Ru-③,■-Phen-Ru-④, ■-Phen-Ru-⑤,■-Phen-Ru-⑥and ■-Phen-Ru-⑦were prepared using aminomethyl polystyrenes of different morphological structures as supports.A variety of alcohols were oxidized efficiently into the corresponding ketones, carboxylic acids or aldehydes with iodosylbenzene (PhIO) catalyzed by aminomethyl polystyrene-supported ruthenium complexes under mild reaction conditions in acetonitrile.The influences of morphological struct...     

钐(Ⅱ)类卡宾CH_3SmCH_2X(X=Cl、Br和Ⅰ)促进乙烯环丙烷化反应途径的理论研究(英文)

用密度泛函B3LYP方法研究了过渡金属钐类卡宾与乙烯的环丙烷化反应的机理。对三种不同的钐的SS试剂CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)分别和CH_2CH_2反应的各反应物、中间体、过渡态和产物构型的全部结构几何参数进行了优化,用内禀反应坐标(IRC)计算和频率分析方法,对过渡态进行了验证。结果表明：CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)与CH_2CH_2环丙烷化反应按亚甲基转移通道(通道A)和卡宾金属化通道(通道B)都可以进行,与锂类卡宾的反应机理相同,只是按亚甲基转移通道(通道A)进行反应较容易一些,而且此反应在较低的温度下就可以发生。     

Studies on the Model Synthesis of the Brassinolide and Dolicholide‘s Side Chains

A highly stereoselective synthesis of the side Chain enantiomers of brassinolide and dolicholide through an aldol reaction of 2-(4-methoxy benzyloxyl) proplonylaldehyde (5) with the anion of 1- ( tert -butyldimethylsiloxy )-3-methyl-2-butanone ( 6 ) is described.     

Self-assembly of Carboxyl Functionalized Polystyrene Nanospheres into Close-packed Monolayers via Chemical Adsorption

The polyacrylic acid functionalized polystyrene nanospheres were synthesized and self-assembled into irregular, densely packed monolayers in non-aqueous media. The polymer nanoparticles were chemically adhered to substrates. The morphologies of the resulting films were investigated. The impact of the volume fraction of alcohol in the mixed solvents on the particle adsorption and fabrication of nanosphere assembled films was examined.     

HPLC法测定醋酸纤维素膜材料界面参数

以醋酸纤维素(CA-398)膜材料为填料,用HPLC法测定无机溶质(如氯化钠,硫酸镁)和多官能团的有机溶质(如糖等)的保留体积V_R’,平衡分配系数K_A’。由HPLC实验数据来确定聚合物膜材料界面参数。