电化学氧化赖氨酸应用于改变碳表面荷电状态

电化学氧化赖氨酸应用于改变碳表面荷电状态;表面改性;玻碳;赖氨酸单层膜;循环伏安;静电排斥作用     

金属化合物价电子结构的多体理论研究

本文发展了一种在量子化学计算得到的分子轨道基础上求解金属化合物价电子体系多电子Scbrdinger方程的方法,利用这种方法对一系列金属化合物的电子光谱进行了计算,所得结果与实验大体符合。     

含Schiff碱基双分子膜聚集态的pH依存性

合成双分子膜是近年来出现的一类重要的超分子化学体系,它具有多方面模拟生物膜功能的性质,是目前国际上极引人注目的研究领域.含有Schiff碱基的双亲性分子(1)的稀水溶液在超声波作用下,可形成其壁为双分子膜结构的球形囊泡。示差扫描量热分析(DSC)表明,该双分子膜从凝胶相到液晶相的相变温度T_c为32℃.由于Schiff碱基在膜内的质子化行为与视网膜中视色素的光化学过程密切相关,所以研究上述合成双分子膜的质子化过程有着重要的膜模拟化学意义.本文简要报导双分子膜(1)在不     

High Resolution Crossed Beams Scattering Study of the F＋HD→DF＋H Reaction

Crossed beams scattering study was carried out on the F＋HD→DF＋H reaction using high- resolution H-atom Rydberg tagging time-of-flight technique. Vibrational state-resolved differential cross sections were measured, with partial rotational state resolution, at eight collision energies in the range of 2.51-5.60 kJ/mol. Experimental results indicated that the product angular distributions are predominantly backward scattered. As the collision energy increases, the backward scattered peak becomes broader gradually. Dependence of product vibration branching ratios on the collision energy was also determined. The experimental results show that the DF products are highly inverted in the vibrational state distribution and the DF （v＇=3） product is the most populated state. Furthermore, the DF （v＇=l） product has also been observed at collision energy above 3.97 kJ/mol.     

Ab Initio Study on the Mechanism of Cycloaddition Reaction between Silylene Carbene （H_2Si=C：） and Acetone

The mechanism of cycloaddition reaction between singlet silylene carbene and acetone has been investigated with CCSD(T)//MP2/6-31G method. From the potential energy profile, it can be predicted that the reaction has two competitive dominant reaction pathways. One consists of two steps: (1) the two reactants (R1, R2) firstly form a four-membered ring intermediate (INT4) through a barrier-free exothermic reaction of 585.9 kJ/mol; (2) Then intermediate (INT4) isomerizes to CH3-transfer product (P4.1) via a transition state (TS4.1) with energy barrier of 5.3 kJ/mol. The other is as follows: on the basis of intermediate (INT4) created between R1 and R2, intermediate (INT4) further reacts with acetone (R2) to form the intermediate (INT5) through a barrier-free exothermic reaction of 166.3 kJ/mol; Then, intermediate (INT5) isomerizes to a silicic bis-heterocyclic product (P5) via a transition state (TS5), for which the barrier is 54.9 kJ/mol. The presented rule of this reaction: the [2+2] cycloaddition effect between the π orbital of silylene carbene and the π orbital of π-bonded compounds leads to the formation of a four-membered ring intermediate (INT4); The unsaturated property of C atom from carbene in the four-membered ring intermediate (INT4) results in the generation of CH3-transfer product (P4.1) and silicic bis-heterocyclic compound (P5).     

可逆加成-断裂链转移自由基聚合与点击化学相结合在制备特殊结构聚合物中的应用

可逆加成一断裂链转移(RAFT)聚合作为一种新型活性自由基聚合方法,由于其具有单体适用面广、聚合条件温和、不受聚合方法的限制等优点,已经成为聚合物分子设计的有效手段之一.点击化学(Click chaemistry)是近几年发展起来的一种快速合成的新方法,是指选用易得原料,通过可靠、高效而又具有选择性的化学反应来实现碳杂...     

中国化学物相分析研究的新成就(下)

分两部分介绍了我国化学物相分析近十余年来研究的新成就。第二部分（下）则对物料物质组成的相态与元素(Fe,I,Mn,Mo,Na,P,Re,S,Sb,Se,Si,Sn,Sr,Ti,U和V等)价态分析、赋存状态分析以及非金属矿物相分析等的研究现状,分别予以简要评述。同时对其存在的问题和进一步研究的方向也进行了讨论。引用文献114篇。     

宽带隙Cu(In,Al)Se2薄膜的制备及表征

以特殊脉冲电沉积方法制备CuInSe2(CIS)前驱体薄膜, 通过真空蒸镀法在CIS薄膜上沉积Al膜, 经硒化退火后在氧化铟锡(ITO)基底上制备了Cu(InAl)Se2(CIAS)薄膜. 采用扫描电子显微镜(SEM)、X射线能谱(EDS)、X射线衍射(XRD)、X射线光电子能谱(XPS)、紫外-可见吸收光谱(UV-Vis)对其形貌、结构、成分及光学吸收性质进行了表征. 结果表明, 制备的CIAS薄膜颗粒均匀, 表面平整致密, 呈黄铜矿结构. 薄膜在可见光区具有良好的吸收, 带隙约为1.65 eV.     

PS-b-P2VP/Fe_3O_4纳米复合材料的制备与表征

采用油酸表面改性的粒径均一的Fe3O4磁性纳米粒子(OA-Fe3O4)与具有微相分离结构的聚苯乙烯-b-聚2-乙烯基吡啶(PS-b-P2VP)嵌段共聚物通过溶液共混,得到具有超顺磁性的PS-b-P2VP/Fe3O4纳米复合材料.结果表明,在OA-Fe3O4质量分数为1%,3%,5%和10%时,纳米粒子分散在PS相区;但OA-Fe3O4含量为8%时,纳米粒子在嵌段聚合物基体中的分散状态发生突变,形成大尺寸聚集体并分散在整个基体中,此时复合材料的流变行为发生相应变化.     

UltiMate 3000 DGLC双三元液相色谱的串联色谱技术特点

当样品使用梯度洗脱时,每次分析结束之后,常需较长时间重新平衡或清洗色谱柱。在此过程中,进样器、柱温箱和检测器则处于闲置状态,这无疑是一种资源浪费。若能将此清洗和平衡过程与分析下一个样品同时进行,则可充分利用资源并可提高分析效率。赛默飞Ulti Mate 3000 DGLC双三