Toward a Unified Mechanism for Oxoammonium Salt-Mediated Oxidation Reactions: A Theoretical and Experimental Study Using a Hydride Transfer Model.
J Org Chem
; 80(16): 8150-67, 2015 Aug 21.
Article
in En
| MEDLINE
| ID: mdl-26167866
ABSTRACT
A range of oxoammonium salt-based oxidation reactions have been explored computationally using density functional theory (DFT), and the results have been correlated with experimentally derived trends in reactivity. Mechanistically, most reactions involve a formal hydride transfer from an activated C-H bond to the oxygen atom of the oxoammonium cation. Several new potential modes of reactivity have been uncovered and validated experimentally.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Quantum Theory
/
Quaternary Ammonium Compounds
/
Models, Chemical
Language:
En
Journal:
J Org Chem
Year:
2015
Document type:
Article
Affiliation country:
United States