Mechanism of the catalytic oxidation of hydrocarbons by N-hydroxyphthalimide: a theoretical study.
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.
Hermans
Ive
I
Centre for Surface Science and Catalysis, Department of Interphase Chemistry, Kasteelpark Arenberg 23, B-3001 Heverlee, Belgium. ive.hermans@chem.kuleuven.ac.be
Vereecken
Luc
L
Jacobs
Pierre A
PA
Peeters
Jozef
J