ABSTRACT
Computational chemistry methods are powerful tools to predict reaction mechanisms of organic/organometallic, polymer, and biological chemistry toward the catalysis design. In this talk, mechanisms of (1) Ni-catalyzed C-O bond activation reactions and (2) Rh(I)-BINAP catalyzed isomerization of allylic amine through C-H bond activation will be presented by using DFT methods. The salt and ligand effects were examined on the first topics, and reaction pathway networks with the second topics were searched by using AFIR method, and extracted by the fast and efficient Prim’s algorithm.
BIOGRAPHY
Prof Seiji Mori is a Professor of Chemistry in Faculty of Science, Ibaraki University. He obtained B.S. and M.S. degree from Tokyo Institute of Technology in 1993 and 1995, respectively. He received Ph. D. degree from The University of Tokyo, Japan in 1998. He was an assistant Vice President for international strategy between 2015-2017. He obtained awards and honors:
- JSPS predoctoral fellowship (DC) (1996-1998)
- JSPS postdoctoral fellowship (1998-2000)
- Young Scholar Lectureship (2001, The Chemical Society of Japan)
- JSPS-DAAD fellowship (2005)
- Cherry L. Emerson center visiting fellowship award (Emory University, GA, USA,2006)
- Teaching Award (Ibaraki University, 2007 with Prof. Oriyama)
- BCSJ award (2014, The Chemical Society of Japan)