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Reply to the Correspondence on "How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring".

Authors :
Casademont-Reig I
Soriano-Agueda L
Ramos-Cordoba E
Torrent-Sucarrat M
Matito E
Source :
Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2022 Sep 05; Vol. 61 (36), pp. e202206836. Date of Electronic Publication: 2022 Jul 11.
Publication Year :
2022

Abstract

A recent article by Anderson and co-workers challenges our conclusions on the aromaticity of the four oxidation states of a butadyine-linked six-porphyrin nanoring, based on the experimental <superscript>1</superscript> H-NMR data and some recent calculations they have performed using the BLYP35 functional. Here, we show that BLYP35 should be taken with caution and demonstrate that the indirect evidence of a ring current from experimental <superscript>1</superscript> H-NMR data is not a definite proof of aromaticity.<br /> (© 2022 Wiley-VCH GmbH.)

Details

Language :
English
ISSN :
1521-3773
Volume :
61
Issue :
36
Database :
MEDLINE
Journal :
Angewandte Chemie (International ed. in English)
Publication Type :
Editorial & Opinion
Accession number :
35818692
Full Text :
https://doi.org/10.1002/anie.202206836