名师讲座
报告题目：The “Charge-Shift Bonding” concept and its manifestation in catalysis
报告时间：2025-04-29 10:30
报告人： Prof. Benoît BRAÏDA
Sorbonne Université
报告地点：卢嘉锡楼202报告厅
转播地点：翔安校区能源材料大楼3号楼会议室5、6，漳州校区生化主楼307教室
报告摘要：
Valence Bond (VB) theory, since its early derivation by Linus Pauling, has been proved along the years a useful framework for understanding chemical bonding and rationalizing many experimental facts in terms of electronic structure and reactivity of molecules. In the first part of this talk, the three bonding classes emerging from VB theory will be presented, with a special highlight to the more recently proposed “Charge-Shift Bonding” (CSB) family, its physical origin and some of its experimental manifestations, in particular its role in electron-rich hypervalency.
The second part will focus on catalysis, and we will show that Valence Bond Diagrams, a powerful conceptual tool to rationalize trends in reactivity, can reveal the decisive role for secondary coordination sphere nucleophiles on methane C–H activation. A predictive model for methane activation catalysis follows, leading to the proposition that proteins with hydrophobic active sites, available strong nucleophiles, and hydrogen bond donors can be attractive targets for engineering novel methane functionalizing enzymes.
报告人简介：
Benoît Braïda，索邦大学教授，1998年毕业于巴黎高等物理化工学院，2002年获巴黎第十一大学博士学位，2002-2003年在巴塞罗那自治大学从事博士后工作，2003-2024年先后在巴黎第六大学和索邦大学任副教授，2024年至今在索邦大学任教授。主要研究兴趣为电子结构、化学键、价键理论、量子蒙特卡洛等，在J. Am. Chem. Soc., Angewant Chem., Eur. J.，等杂志上累计发表文章80余篇。
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