BYU

Abstract by John Stanley

Personal Infomation


Presenter's Name

John Stanley

Degree Level

Undergraduate

Abstract Infomation


Department

Chemistry and Biochemistry

Faculty Advisor

Daniel Ess

Title

Chromium Catalyst Design for Ethylene Oligomerization

Abstract

Production of 1-hexene and 1-octene through selective ethylene oligomerization has been a continuous challenge for many major manufactures. While there have been recent developments in increasing 1-hexene selectivity, achieving high 1-octene selectivity remains difficult. We used density functional theory to identify the lowest energy pathways leading to the formation of 1-hexene and 1-octene for a family of phosphine imine chromium catalysts and built a correlation model to predict their experimental selectivity. Using this model, a new class of monocylic imine phosphine catalysts were computationally designed and experimentally verified.