title: Low barrier hydrogenolysis of the carbon-heteroatom bond as catalyzed by HAlF(4).
abstract: Quantum chemistry calculations show that the barriers for HAlF(4)-catalyzed hydrogenolysis reactions of the carbon-heteroatom bond are reduced substantially compared with those for the uncatalyzed reactions. For example, the condensed-phase free-energy barrier for the HAlF(4)-catalyzed hydrogenolysis of CH(3)-F is about 130 kJ mol(-1), compared with 373 kJ mol(-1) for the uncatalyzed reaction. The reactions are facilitated in the case of substrates that can give rise to a stable carbocation and for strongly acidic catalysts.
authors.affiliation: School of Chemistry and Center of Excellence for Free Radical Chemistry and Biotechnology, University of Sydney, Sydney NSW 2006, Australia.
authors.forename: George
authors.initials: G
authors.lastname: Zhong
authors.forename: Bun
authors.initials: B
authors.lastname: Chan
authors.forename: Leo
authors.initials: L
authors.lastname: Radom