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Chem Commun (Camb). 2011 Jan 7;47(1):409-11. doi: 10.1039/c0cc02286a. Epub 2010 Sep 20.

Cationic intermediates in Friedel-Crafts acylation: structural information from theory and experiment.

Author information

1
Dept. of Chemistry and Biochemistry, University of California, Merced, USA.

Abstract

Experimentally-determined intramolecular and intermolecular deuterium kinetic isotope effects and computational studies imply three possible kinetic scenarios for the Friedel-Crafts acylation of xylene. The influence of the structural and energetic properties of the π-complexes and σ-complex upon the observed isotope effects is explored.

PMID:
20852804
DOI:
10.1039/c0cc02286a
[Indexed for MEDLINE]

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