会议专题

Theoretical Design of Hydroxyimide Organocatalysts

The selective oxidation of hydrocarbons toward value-added oxygenated products catalyzed by hydroxyimide organocatalysts under mild conditions has attracted substantial academic and industrial interest.”1” Our recent theoretical effort focuses on the rational design of new such organocatalysts with more powerful reactivity and recoverable properties for aerobic oxidation,”2-4” the mature understanding of the relevant catalytic mechanisms,”5” and review of the recent contributions in the concerned field.”1,6” Recently,we have theoretically studied the structure–reactivity relationship of new hydroxyimide organocatalysts based on the heterocyclic replacements of the phenyl ring of N-hydroxyphthalimide(NHPI),and find that the reactivity of catalysts with the common five-member aromatic rings is lower than that of NHPI.”7” The catalyst with the recyclable ionic-liquid-structure may serve as a novel model catalyst for further improvements,and the reactivity of multi-nitroxyl catalysts may be more fascinating than that of the reported highly efficient cases.

谢海英 陈可先

国内会议

第八届国际分子模拟与信息技术应用学术会议

大连

英文

74-75

2016-09-24(万方平台首次上网日期,不代表论文的发表时间)