C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise

Chem Commun (Camb). 2020 Jul 21;56(57):7865-7868. doi: 10.1039/d0cc00003e. Epub 2020 Feb 10.

Abstract

The reaction of (Cp*Al)4 with a series of fluoro(hetero)arenes has been investigated and C-F bond activation was observed with perfluorotoluene, pentafluoropyridine as well as 1,2,3,4-tetrafluoro-, pentafluoro- and hexafluorobenzene. The reaction mechanism has been probed by means of DFT calculations and the computational findings are in good agreement with the experimental observations.