Enhancement on the hydrothermal stability of ZSM-5 zeolites by the cooperation effect of exchanged lanthanum and phosphoric species

It was explored by density functional calculations that exchanged La or P species exert great influence on the local Al sites as well as on the adjacent exchanged species. In partially exchanged La- or P/H-ZSM-5 zeolite, some of the Al sites will fall off from the zeolite framework even more easily than in H-form ZSM-5, consistent with our XRF experiments. However, when exchanged by both La and P species, Al at either of the two exchanged sites shows better stability compared to H-from. zeolite. La and P species will interact strongly with each other, as evidenced by the charge donation process and the shortening of P-O-1 bond length. It was just the cooperation of La and P species that enabled RSCC catalysts worked normally under severe conditions. (C) 2004 Elsevier B.V. All rights reserved.

Theoretical Studies on the Reaction Mechanism of Platinum-Catalyzed Diboration of Allenes

The reaction mechanism of Pt(0)-catalyzed diboration reaction of allenes is investigated by the density functional method B3LYP. The overall reaction mechanism is examined. The electronic mechanisms of the allene insertion into the Pt-B bond are discussed in terms of the electron donation, back-donation, and d-pi interaction. During allene insertion into the Pt-B bond, the internal carbon atom of allene is preferred over the terminal one due to the stronger electron back-donation and stronger charge transfer in the former case than that in the latter one.

Reaction Mechanism of Palladium-Catalyzed Silastannation of Allenes by Density Functional Theory

The reaction mechanism of Pd(O)-catalyzed allenes silastannation reaction is investigated by the density functional method B3LYP. The overall reaction mechanism is examined. For the allene insertion step, the Pd-Si bond is preferred over the Pd-Sn bond. The electronic mechanism of the allene insertion into Pd-Si bond to form sigma-vinylpalladium (terminal-insertion) and sigma-allylpalladium (internal-insertion) insertion products is discussed ill terms of the electron donation and back-donation. It is found that the electron back-donation is significant for both terminal- and internal-insertion. During allene insertion into Pd-Si bond, internal-insertion is preferred over terminal-insertion. By using methylallene, the regio-selectivity for the monosubstituted allene insertion into Pd-Si and Pd-Sn bond is analyzed.

公众个人捐赠动机及其影响因素

Along with Chinese general national power upgrades constantly, the gaps between the rich and the poor in different areas and groups increased by contraries. Charity career in China attracts more and more attention. In western society, there is consanguineous correlativity between the development of charity career and charity marketing, and donation motivation is one of the most important factors. It’s mainly focus on two issues, one is the process of donation behavior and the other one is the drive of donation behavior. There are great differences between domestic studies on donation motivation and the current correlative theory due to different cultures, religions, regions and so on. In this article, western theory of donation motivation has been summarized and meanwhile the unique domestic donation motivation has been analyzed. The article includes two studies. Firstly, investigated domestic individual donation motivation as well as primary donation behavior, secondly studied the structure of donation motivation by questionnaire. Results show that, firstly, there are four factors in Chinese individual donation motivation which were cost-income balance, passive donation, to do good and accumulate merit, public morality and habit-share. Organization disadvantage and ability limit are the two factors in unwilling donation motivation. Secondly, in this survey, there are no significant differences between cost-income balance and demographic variables. Passive donation motivation shows significant differences only on gender and occupation. To do good and accumulate merit shows significant difference only on occupation. To do good and accumulate merit and habit-share also show significant differences on age. Passive donation is one of special factors in China. Thirdly, donors are prefer to help children who unable to go to school and people who hit by a natural calamity than to help agriculture labourer and laid-off worker. At last, donors concern more about the information feedback such as how was their donation has been used. If the charity organization can not meet the donors’demands in this aspect, it will be surely result in unwilling donation.