Mechanism of the catalytic oxidation of hydrocarbons by N-hydroxyphthalimide: a theoretical study

Ive Hermans; Luc Vereecken; Pierre A Jacobs; Jozef Peeters

doi:10.1039/b401050g

Mechanism of the catalytic oxidation of hydrocarbons by N-hydroxyphthalimide: a theoretical study

Chem Commun (Camb). 2004 May 7:(9):1140-1. doi: 10.1039/b401050g. Epub 2004 Mar 25.

Authors

Ive Hermans¹, Luc Vereecken, Pierre A Jacobs, Jozef Peeters

Affiliation

¹ Centre for Surface Science and Catalysis, Department of Interphase Chemistry, Kasteelpark Arenberg 23, B-3001 Heverlee, Belgium. ive.hermans@chem.kuleuven.ac.be

PMID: 15116224
DOI: 10.1039/b401050g

Abstract

The mechanism of the recently proposed catalytic oxidation of hydrocarbons by oxygen in the presence of N-hydroxyphthalimide (NHPI) was established by quantum chemical calculations, consistent with experiments.