NDLI: How Globally Aromatic Are Six-Porphyrin Nanorings?

Content Provider	Scilit
Author	Deng, Jie-Ren Bradley, David Jirásek, Michael Anderson, Harry Peeks, Martin
Copyright Year	2021
Description	A recent Research Article published in this journal by Matito and coworkers claimed that none of the oxidation states of a butadiyne-linked six-porphyrin nanoring exhibit global aromaticity or antiaromaticity. Here we show that this conclusion is incorrect. A combination of density functional theory (DFT) calculations and experimental NMR data provides compelling evidence for global (anti)aromaticity in a variety of six-porphyrin nanorings in their 2+, 4+ and 6+ oxidation states. The strength of the predicted ring current depends on the choice of DFT functional, so it is crucial to use a functional that reproduces the experimental 1H NMR chemical shifts in these cations.
Related Links	https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/618078c892abe0c26731be6d/original/how-globally-aromatic-are-six-porphyrin-nanorings.pdf
DOI	10.33774/chemrxiv-2021-hm34v
Language	English
Publisher	Cambridge University Press (CUP)
Publisher Date	2021-11-05
Access Restriction	Open
Subject Keyword	Oxidation States Globally Aromatic Six Porphyrin Nanorings
Content Type	Text
Resource Type	Article

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