The adsorption of toluene on V-Sb oxides. Theoretical aspects

Toluene adsorption reactions on the (1 1 0) surface of VSbO₄ have been analyzed following the changes in the electronic structure of the hydrocarbon molecule and metal cation sites of the oxide using the Just Another Extended Hückel Molecular Orbital Program (JAEHMOP) code. The bonding character of these interactions has also been studied in the same theoretical framework. The calculations indicate that the exothermic hydrocarbon parallel interaction on Sb-V sites results in the weakening of one of the C-H bonds of the methyl fragment. This leads to a H-abstraction that involves the participation of a Sb-cation. Both methyl and phenyl fragments decrease their electronic population and so does the V-cation site. Most of these electrons are transferred to other V atoms in the bulk solid. As a result the LUMO of the toluene-oxide system fully populates. The analysis reveals that methyl-Sb bonding interactions mainly involve C_2px and H_1s orbitals with Sb_5s orbital, while non-bonding phenyl-V interactions involve C_2px orbitals with V_3dx²−y² orbital. This last interaction facilitates the desorption of the benzyl species after H-abstraction.     

托卡马克能量约束及自举电流效应的初步考虑

基于Lee等人的离子温度梯度模导致的反常热能输运系数,本文研究了辅助加热托卡马克等离子体的能量约束行为,并对自举电流的效应作了初步考虑。结果表明,计算得到的能量约束时间随等离子体电流I_p和托卡马克大半径R增大而增长,随注入功率P_t、环向场B_t以及等离子体小半径α的增大而缩短。这些结果与Kaye-Goldston的经验约束定标具有相同的趋势。自举电流的存在总是导致能量约束时间的增加,当自举电流与总电流的比值γ较小时,能量约束时间的增加率约为γ/2。此外,自举电流将造成锯齿反转半径的减小。     

Ginzburg－Landau－Newell模型的动力学行为

木文对Ｇｉｎｚｂｕｒｇ－Ｌａｎｄａｕ－Ｎｅｗｅｄ模型的动力学行为进行了讨论，得到了该模型的整体吸引子的存在性，同时得到了此吸引子维数的下界估计和该吸引子的Ｈａｕｓｄｏｒｆｆ维数和Ｗａｃｔａｌ（分形）维数的上界估计．     

An easy and fast way to determine the enantiomeric purity of substituted cyclanones

The determination of the enantiomeric purity of 2 or 3-substituted cyclanones, particularly cyclohexanones, is conveniently achieved by derivatisation into cyclic aminals with commercially available (R, R)-1,2-diphenylethylenediamine. The derivatisation procedure is directly done into the NMR tube, instantaneously, and ¹³C NMR allows an accurate measure of the ee.     

Measurement of the First Hyperpolarizability of Substituted Ketene N，S－acetals by Hyper－Rayleigh Scattering in Solution

ＭｅａｓｕｒｅｍｅｎｔｏｆｔｈｅＦｉｒｓｔＨｙｐｅｒｐｏｌａｒｉｚａｂｉｌｉｔｙｏｆＳｕｂｓｔｉｔｕｔｅｄＫｅｔｅｎｅＮ，Ｓ－ａｃｅｔａｌｓｂｙＨｙｐｅｒ－ＲａｙｌｅｉｇｈＳｃａｔｔｅｒｉｎｇｉｎＳｏｌｕｔｉｏｎＧＡＯＸｉｎｇｙｕ；ＣＨＥＮＪｉｎｇｂ...     

停流—荧光动力学分析法测定痕量钛的研究

利用自行组装的停流-荧光动力学分析仪,采用停流法汇合流体动力注入技术,研究了钛与3.5-二溴水杨基荧光酮的荧光增强动力学反应性质,讨论了流速、进样时间对方法灵敏度和精密度的影响,提出了一个快速、简便、精确测定钛的分析方法,并用于稀土样品及合成样品中痕量钛的测定.方法检测限为8×10~(-3)ppm,大多数元素的干扰均可用动力学方法消除.     

Some characterisations of supported algebras

We give several equivalent characterisations of left (and hence, by duality, also of right) supported algebras. These characterisations are in terms of properties of the left and the right parts of the module category, or in terms of the classes L₀ and R₀ which consist respectively of the predecessors of the projective modules, and of the successors of the injective modules.     

Two New Diterpene Acetylxylosides from Aster veitchianus

Two new acetylxylosides,ent-manool-13-O-β-D-2′-acetylxylopyranoside(1)and entmanool-13-O-β-D-2′,4′-diacetylxylopyranoside(2)were isolated from Aster veitchianus.Their structures were elucidated by spectroscopic methods.