Ethylene Trimerization Using Chromium Pyridyl Amine Complexes: A Computational Study

ABSTRACT

Selective trimerization of ethylene to produce 1-hexene is a commercially practiced process that yields valuable comonomer for linear low density polyethylene production. Several years ago, ExxonMobil chemists developed a family of chromium catalysts useful for ethylene trimerization, but a mechanistic understanding of the catalysis remained elusive. This talk presents a mechanistic proposal to explain the catalytic selectivity, supported by a computational exploration of proposed cycle. Results will be discussed in terms of geometric requirements for reaction and the fundamental steps involved in catalysis.

Time and Location: 
3:30pm | Mechanical Engineering Building (MEC) Rm 205
Academic Year: 
2019
Event Date: 
Friday, September 20, 2019
Semester: 
Speaker: 
Professor Glen Alliger
Speaker Title: 
ExxonMobil
Host: 
Professor Charlie Machan