Mechanism of the catalytic oxidation of hydrocarbons by N-hydroxyphthalimide: a theoretical studyElectronic supplementary information (ESI) available: all discussed TS and important intermediates (geometries, energies, ZPE, rotational constants and frequencies). See http://www.rsc.org/suppdata/cc/b4/b401050g/
- 25 March 2004
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 9,p. 1140-1141
- https://doi.org/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.This publication has 4 references indexed in Scilit:
- Hydroxylamines as Oxidation Catalysts: Thermochemical and Kinetic StudiesThe Journal of Organic Chemistry, 2003
- Aerobic Oxidation of N-Alkylamides Catalyzed by N-Hydroxyphthalimide under Mild Conditions. Polar and Enthalpic EffectsThe Journal of Organic Chemistry, 2002
- A new, highly selective synthesis of aromatic aldehydes by aerobic free-radical oxidation of benzylic alcohols, catalysed by n-hydroxyphthalimide under mild conditions. Polar and enthalpic effectsChemical Communications, 2002
- Efficient Oxidation of Alcohols to Carbonyl Compounds with Molecular Oxygen Catalyzed by N-Hydroxyphthalimide Combined with a Co SpeciesThe Journal of Organic Chemistry, 2000