There are relatively few transition-metal mediated reactions that are capable of directly converting aromatic sp2 C-H bonds to phenols. This talk will highlight our use of density functional theory (DFT) calculations to examine reaction pathways of OsO4 mediated oxidation of arene C-H bonds in hydroxide/pyridine solvent. This involves examining many highly competitive pathways with hydroxide and pyridine acting as potent donor ligands to Os, which induces nucleophilic Os species and new reaction mechanisms that are different than the typical [3 + 2] type mechanism.

Computational analysis of arene C-H bond oxidation by electrophilic OsO4 in strongly basic solvent

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.