Abstract by John Stanley

Personal Infomation

Presenter's Name

John Stanley

Degree Level


Abstract Infomation


Chemistry and Biochemistry

Faculty Advisor

Daniel Ess


Chromium Catalyst Design for Ethylene Oligomerization


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.