Deoxydehydration (DODH) of polyols to alkenes and other reduced species is an important reaction for the up-conversion of biomass derived material to chemical feedstocks currently obtained from petroleum products.   Metal oxo species supported by tridentate ligands are effective catalysts for the DODH reaction.  The steric environment and electronic effects of a variety of ligands has been shown to have an influence on the product distribution and rate of reaction.  Correlations between steric environment and rate will be discussed.  Additionally, the electronic donating and withdrawing properties of the ligands will be evaluated and related to the reactivity of the complexes.  Finally, DFT analysis of the electronic structure of intermediates relevant to the catalytic cycle were investigated with a focus on the electronic structure of the ligands. The ligand platforms investigated include dipicolinoate, diphenolate-pyridine pincers and other dianionic moieties. <br/>

The influence of ligand environment on the deoxydehydration of polyols by early-metal oxo-complexes

255th National Meeting (2018)

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