title: The Étard reaction: a DFT study.
abstract: The mechanism of the Étard reaction of chromylchloride in toluene, discovered more than a century ago, has been investigated by DFT calculations (B3LYP/6-31G(d)). The formation of the experimentally observed product can be rationalized by multiple CH-abstraction reactions.
authors: Anorganische Chemie, Technische Universität München, Lichtenbergstrasse 4, 85747 Garching, Germany.
authors: Markus
authors: M
authors: Drees
authors: Thomas
authors: T
authors: Strassner