“催化反应与机制”系列学术报告
报告题目：Modelling Homogeneous Catalysis Mechanisms: Solid State Species and Kinetics
报告人：Jeremy Harvey 教授
比利时鲁汶大学化学系
时间：2023年7月4日 16:00-17:30
地点：学校会议中心一楼会议室第一会议室
腾讯会议: #腾讯会议：828-996-699会议密码：316298或点击链接入会 https://meeting.tencent.com/dm/WDw97CTCZHlA
报告摘要：Concerning solid-state additives, although we describe it as “homogeneous” catalysis, catalysis involving organic or single-molecule organometallic catalysts centres often involves reaction with additives present in a different phase. While treatment of gas-phase reactants is reasonably straightforward, treatment of solids, such as the bases frequently used in many catalytic transformations, is less trivial. In recent work, including [4] and unpublished recent studies, we have found that while modelling the kinetics of steps involving such species is too challenging, it ispossible to get good insight into the thermodynamics of these steps, which is frequently sufficient for understanding the impact of these steps on an overall mechanism. I will describe this work in my talk.
报告人简介：Professor Jeremy Harvey received his PhD from KU Leuven in 1995 and was a postdoctoral fellow at the Technical University of Berlin, the Hebrew University of Jerusalem and the University of California, USA, from 1995 to 1998. During his postdoctoral period, he started his research in theoretical and computational chemistry. To date, he has published more than 200 high level papers, reviews and books. His research focuses on the mechanism and kinetics of chemical reactions using electronic structure theory, statistical rate theory and classical trajectory methods, with a particular focus on the catalysis of transition metal compounds. He has received several international awards: the Corday-Morgan Medal of the Royal Society of Chemistry in 2007, the Dirac Prize of the World Association of Theoretical and Computational Chemists in 2009 and the Wolfson Prize of the Royal Society in 2014, and is an internationally renowned scholar in the field of theoretical computational chemistry.