The unique catalytic role of water in aromatic C–H activation at neutral pH: a combined NMR and DFT study of polyphenolic compounds-Reference-Cited by-同舟云学术

The unique catalytic role of water in aromatic C–H activation at neutral pH: a combined NMR and DFT study of polyphenolic compounds

Published:2020 Issue:30 Volume:22 Page:17401-17411
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fayaz Aneela¹²³⁴⁵,Siskos Michael G.⁶⁷⁸⁹¹⁰,Varras Panayiotis C.⁶⁷⁸⁹¹⁰^ORCID,Choudhary M. Iqbal¹²³⁴⁵^ORCID,Atia-tul-Wahab ¹¹²³⁴⁵,Ioannis Gerothanassis P.¹²³⁴⁵^ORCID

Affiliation:

1. H.E.J. Research Institute of Chemistry

2. International Center for Chemical and Biological Sciences

3. University of Karachi

4. Karachi-75270

5. Pakistan

6. Section of Organic Chemistry and Biochemistry

7. Department of Chemistry

8. University of Ioannina

9. Ioannina

10. Greece

11. Panjwani Center for Molecular Medicine and Drug Research

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.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02826F

Reference62 articles.

1. Reactivity of Organic Compounds in Superheated Water: General Background

2. The Renaissance of H/D Exchange

3. Organometallic alkane CH activation

4. Regiospecific CH Bond Activation: Reversible H/D Exchange Promoted by CuI Complexes with Triazamacrocyclic Ligands

5. Rhodium-Catalyzed C−C Bond Formation via Heteroatom-Directed C−H Bond Activation

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