Maximizing the utility of alternative energy feedstocks such as shale gas and polymers depends on our ability to adjust the chain lengths of linear alkanes and alkenes, using catalytic processes such as metathesis. Conventional heterogeneous metathesis catalysts that are compatible with very large-scale industrial processes suffer from inefficient activation and fast deactivation, requiring frequent and/or continuous regeneration. The key to improving the performance of these oxide-supported transition metal catalysts is understanding the elementary steps leading to the installation of alkylidene ligands by reaction of the oxometal precursors with olefins, and the corresponding steps which cause loss of the alkylidene ligands. These steps are difficult to study because of the small fraction of active sites. By synthesizing uniform oxometal complexes of Mo and Re supported on appropriate oxides and analogies to closely-related molecular systems, complemented by DFT modeling to investigate plausible mechanisms and transition states, we have identified some of these steps and their barriers.

Mechanisms for the activation of supported oxometal complexes for olefin metathesis

2019 Fall National Meeting

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