How fluorine substituents strengthen aryl C–H bonds

Chemical Science 2026 Open access

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Authors: Daniel Arley Santos Oliveira, Daniela Rodrigues Silva, A. M. F.W. Braga, Célia Fonseca Guerra, Robin Perutz, Odile Eisenstein, F. Matthias Bickelhaupt
DOI: 10.1039/d6sc01846g
Cited by: 1
References: 81

Abstract

effect can be accurately modelled by a combination of Pauli repulsion (main contribution) and orbital interactions. We extend our analysis to other substituents, including ones with the opposite effect on C-H bond strength.

Fields of Study & Subjects

Advanced Chemical Physics Studies Crystallography and molecular interactions Synthesis and Properties of Aromatic Compounds

Publication details

Journal / source
Chemical Science
Publisher
Royal Society of Chemistry (RSC)
Volume
17
Issue
23
Pages
11390–11402
Publication date
1 January 2026
Language
EN