ArticleACS nano2025
Global Aromatic Ring Currents in Neutral Porphyrin Nanobelts.
Article in ACS nano, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- π-Conjugation Mediates Competing J12 and J13 Interactions at the Nanometric Scale in Linear Fe(III) Porphyrin Trimers.Inorganic chemistry · 2026Article
- An 18-Porphyrin Nanoring at the Size Limit for Global Aromaticity.Journal of the American Chemical Society · 2025Article
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Authors and funding
4 authors.
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Abstract
The ability of a ring-shaped molecule to sustain a global aromatic or antiaromatic ring current when placed in a magnetic field indicates that its electronic wave function is coherently delocalized around its whole circumference. Large molecules that display this behavior are attractive components for molecular electronic devices, but this phenomenon is rare in neutral molecules with circuits of more than 40 π-electrons. Here, we use theoretical methods to investigate how the global ring currents evolve with increasing ring size in cyclic molecular nanobelts built from edge-fused porphyrins. Our results indicate that a global ring current persists in neutral nanobelts with Hückel circuits of 220 π-electrons (22 porphyrin units, circumference 18.6 nm). Our predictions are validated by using coupled clusters to construct a density functional approximation (denoted as OX-B3LYP) that accurately describes these nanobelts and by checking compliance with Koopmans' theorem.
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