화학공학소재연구정보센터
Inorganic Chemistry, Vol.50, No.12, 5833-5840, 2011
The Etard Reaction: A DFT Study
The mechanism of the Etard 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.