报告题目：Probing the Mechanism of Abnormal N-Heterocyclic Silylene Formation and Its Reactivity with CO, Ketene and N2O-A DFT Study

报告人：Laurent Maron教授

工作单位：University of Toulouse, France

报告时间：2023年7月12日（星期三） 下午15:00

报告地点：逸夫工程馆四楼会议室

欢迎广大师生前往！

广东省功能分子工程重点实验室

华南理工大学化学与化工学院

2023年7月3日

报告人简介：

Laurent Maron教授，1999年获得法国图卢兹大学理论化学和瑞典斯德哥尔摩大学理论物理博士学位；1999-2001在法国Montpellier大学Prof. O. Eisenstein团队中进行博士后研究工作；2001-至今，在法国图卢兹的物理化学系开展独立科研工作，从事过渡金属及其配合物催化反应机理方面的研究。在Science, Nat. Chem., Acc. Chem. Res., PNAS, J. Am. Chem. Soc., Angew. Chem. Int. Edit.等国际期刊上发表论文564篇，个人H因子为73。获得的荣誉包括：Chinese Academy of Science award (2015, 2019), Humboldt fellowship (2018), RSC-SCF award (2018)。

会议摘要：

The low oxidation state of silicon in silylenes are found to be promising candidates for activating small molecules in the recent years. Jones and co-workers have shown that the interaction of disilylenes (1) with CO results in a novel abnormal N-heterocyclic silylene (2). We investigated the mechanistic pathway for the CO activation using DFT methodology and performed NBO analysis to understand the electronic structure of N-heterocyclic silylene. Furthermore, the complex 2 is reactive with CO only in the presence of TMC resulting in Si(CO)2Si four membered ring in complex 3. Further reactivity of 1 and 2 with N2O or ketene will also be reported and discussed.