Title: Principal Interacting Orbital: A Chemically Intuitive Method for Deciphering Bonding Interactions

Speaker: Prof. Zhenyang LIN,  New York University

Date: 2020-12-23 10:00

Location: Room B311, Zengchengkui Building

Abstract：

Recently, we have developed a novel framework, Principal Interacting Orbital (PIO) analysis, to understand chemical interactions between two chemical fragments. The PIO method allows to quickly identify the “dominant interacting orbitals” that are semi-localized and easily interpretable. In this talk, the theoretical foundation of the framework and its application to analysis of various chemical systems will be presented. Extension of this method to open-shell systems will be also discussed.

Biography:

Zhenyang Lin received his B.Sc. from China University of Geosciences in 1982 and his MPhil degree in 1985 from Fujian Institute of Research on the Structure of Matter (CAS). He did his PhD work in Inorganic Chemistry Laboratory of the University of Oxford under the supervision of Professor D. Michael P. Mingos and his postdoctoral work at Texas A&M University with Professor Michael B. Hall. He joined the Hong Kong University of Science and Technology (HKUST) in 1994. He served as the Department Head of Chemistry from January 2011 to August 2018. Since July 2019, he has been a Chair Professor. His research interests include theoretical aspects of structure, bonding and reactivity of inorganic and organometallic compounds, and homogeneous catalysis. He has co-authored over 400 publications (including 9 book chapters and one co-edited book). His H-index is 64.