Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 30(22), p. 17401-17411, 2020
DOI: 10.1039/d0cp02826f
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The unique catalytic role of water in aromatic C–H activation at neutral pH: a combined NMR and DFT study of polyphenolic compounds
Journal article published in 2020 by
Aneela Fayaz,
Atia-Tul Wahab,
Michael George Siskos,
Panayiotis C. Varras 
,
M. Iqbal Choudhary,
Muhammad Iqbal Choudhary ,
Atia-Tul-Wahab,
Gerothanassis P. Ioannis
,
M. Iqbal Choudhary,
Muhammad Iqbal Choudhary ,
Atia-Tul-Wahab,
Gerothanassis P. Ioannis
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Abstract
NMR and DFT studies demonstrate the unique catalytic role of H2O in aromatic C–H activation which results in a reduction of ΔG# values by a factor of 20–30 kcal mol−1.