锡苯和铅苯二聚反应的理论研究

采用密度泛函理论B3LYP方法,研究了锡苯和铅苯的[2+2],[4+2]及[4+4]二聚反应的微观机理和势能剖面,考察了Sn(Pb)原子上的2,4,6-三甲基苯基(Mes)取代基对反应势能剖面的影响.研究结果表明,所有反应均为协同过程,且大多数情况下,2个C—Sn(Pb)键同步形成.[2+2]和[4+2]反应在热力学和动力学上均比相应的[4+4]反应容易进行,而[4+2]反应在动力学上比相应的[2+2]反应有利.Sn(Pb)原子上的Mes取代基在热力学和动力学上均不利于反应的进行.铅苯的动力学稳定性与锡苯相当,但其热力学稳定性高于锡苯.     

Twining Poly(polyoxometalate) Chains into Nanoropes

Organic polymers and inorganic clusters belong to two different disciplines and have completely different properties and structures. When a cluster is attached to the backbone of a polymer as a pendant, the resultant hybrid polymers (polyclusters) exhibit unique behaviours totally different from those of conventional polymers owing to the nanoscale size of the cluster and its particular interactions. Herein, the aggregation of a poly(polyoxometalate)—a polynorbornene backbone with inorganic polyoxometalate cluster pendants—upon addition of a non-solvent to its dilute solution is reported. A three-dimensional network of tangled and snake-like nanothreads was observed. Direct visualisation of individual nanoscale clusters enabled identification of single chains within the nanothreads. These observations suggest that during the process of aggregation, the hybrid polymer forms curved or extended chains as a consequence of an armouring effect in which the collapsed cluster pendants wrap around the backbone. The collapse occurs because they become less soluble in the solvent/non-solvent mixture. The extended chains then become entwined and form nanoropes consisting of multiple chains wound around each other. This study provides a deeper understanding of the nature of polyclusters and should also prove useful for their future development and application.     

The visible and ultraviolet organic light-emitting diodes with germanium dioxide as facile solution-processed anode buffer layer

Germanium dioxide (GeO₂) aqueous solutions are facilely prepared and the corresponding anode buffer layers (ABLs) with solution process are demonstrated. Atomic force microscopy, X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy measurements show that solution-processed GeO₂ behaves superior film morphology and enhanced work function. Using GeO₂ as ABL of organic light-emitting diodes (OLEDs), the visible device with tris(8-hydroxy-quinolinato)aluminium as emitter gives maximum luminous efficiency of 6.5 cd/A and power efficiency of 3.5 lm/W, the ultraviolet device with 3-(4-biphenyl)-4-phenyl-5-tert-butylphenyl-1,2,4-triazole as emitter exhibits short-wavelength emission with peak of 376 nm, full-width at half-maximum of 42 nm, maximum radiance of 3.36 mW/cm² and external quantum efficiency of 1.5%. The performances are almost comparable to the counterparts with poly (3,4-ethylenedioxythiophene):poly (styrenesulfonate) as ABL. The current, impedance, phase and capacitance as a function of voltage characteristics elucidate that the GeO₂ ABL formed from appropriate concentration of GeO₂ aqueous solution favors hole injection enhancement and accordingly promoting device performance.     

基于能力的IT基础设施评价和规划方法

IT基础设施是IT组合的基础, 其在组织范围内为IT应用和核心业务提供可靠的共享服务.IT基础设施能力关系到企业战略及BPR的成功与否,已经成为企业战略选择的一部分,甚至是企业的一种潜在的核心能力.IT基础设施与企业战略之间的对应是战略对应的一个基本问题.文章提出了基于能力的 IT基础设施评价和规划方法,并建立了基于能力的 IT基础设施评价模型和规划模型.     

治理理论视角下高等教育管理的社会参与

我国高等教育管理权曾一度为政府所控制，社会力量很少能够参与到高等教育管理中来。公共行政领域的治理理论，为社会参与高等教育管理提供了理论依据。实现高等教育管理的社会参与，不仅有待于社会力量的积极发展和完善，而且政府和高校也要主动吸收社会力量参与管理。     

成人高校辅导员工作方法初探

现代成人教育是社会发展的必然，成人学校的教育工作有一定的难度，特别是辅导员工作更是存在着高校和中学之间的衔接问题。本文以实际工作的经验教训为契机，探讨成人高校辅导员工作方法。     

带电胶体系统固液相变的分子动力学研究

在修正Yukawa相互作用的基础上，采用常温分子动力学方法数值研究了带电胶体系统的大离子屏蔽效应和多分散性效应对其固液边界的影响．研究结果发现，在屏蔽长度较大时，固液相变曲线出现了明显偏差．初步定性认为这种相边界偏差现象来自于系统多体效应的增强．另外，数值研究了固液相变时键接取向序参数的变化．     

环境法的需求与供给——一个法经济学视角

环境法是环境与资源要素相对价格提高、科技发展、人们对良好环境形成偏好条件下的产物。它的供给要受到所在国家利益格局、社会科学知识的积累、法律供给传统等诸要素的影响。在完善一个国家的环境法时，必须充分调动这些因素，以形成可持续发展。     

强迫布鲁塞尔振子双稳周期吸引子的初值流域

本文利用数值方法,在几组典型参数值下,详细地考察了弱耦合强迫布鲁塞尔振子在超临界情况下双稳周期运动的周期与初值的关系。首次在初值平面x_0—y_0上的一定范围内,给出了导致不同周期运动的初值分布(流域)。计算结果还表明:在此范围内不存在多重稳定态,因而从一个方面进一步加强了弱耦合条件下的强迫布鲁塞尔振子与圆映象的可比性。