Linear alpha-olefins are key petrochemical precursors for the synthesis of larger polymers, detergents, and lubricants. Most catalytic processes generate a wide distribution of alpha-olefin carbon chain lengths. A major ongoing industrial challenge is development of molecular catalysts with the ability to tune ethylene oligomerization to precise mixtures of 1-hexene and 1-octene. This talk will discuss our development and use of a transition-state model that provides quantitative prediction of new chromium catalysts for controllable selective ethylene trimerization and tetramerization. Computational predictions identified a new class of chromium catalysts that were then experimentally realized.

Computational design and experimental realization of chromium catalysts with control of ethylene trimerization and tetramerization

255th National Meeting (2018)

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