ArticleThe journal of physical chemistry letters2019
Aromaticity and Antiaromaticity in the Excited States of Porphyrin Nanorings.
Article in The journal of physical chemistry letters, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Molecular Pseudorotation in Phthalocyanines as a Tool for Magnetic Field Control at the Nanoscale.Journal of the American Chemical Society · 2024Article
- Current-Density Calculations on Zn-PorphyrinThe journal of physical chemistry. A · 2023Article
- Aromaticity: Quo Vadis.Chemical science · 2023Review
- Alternating behavior in furan-acetylene macrocycles reveals the size-dependency of Hückel's rule in neutral molecules.Communications chemistry · 2023Article
- Disentangling global and local ring currents.Chemical science · 2023Article
- Magnetically Induced Current Densities in π-Conjugated Porphyrin Nanoballs.The journal of physical chemistry. A · 2022Article
- Magnetically Induced Current Densities in Zinc Porphyrin Nanoshells.The journal of physical chemistry. A · 2022Article
- How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring*.Angewandte Chemie (International ed. in English) · 2021Article
- Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity.European journal of organic chemistry · 2021Article
- Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications.The journal of physical chemistry. A · 2021Article
- Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Global Aromaticity and Antiaromaticity in Porphyrin Nanoring Anions.Angewandte Chemie (International ed. in English) · 2019Article
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Authors and funding
7 authors.
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Abstract
Aromaticity can be a useful concept for predicting the behavior of excited states. Here we show that π-conjugated porphyrin nanorings exhibit size-dependent excited-state global aromaticity and antiaromaticity for rings containing up to eight porphyrin subunits, although they have no significant global aromaticity in their neutral singlet ground states. Applying Baird's rule, even rings ([4 n] π-electrons) are aromatic in their lowest excited states, whereas the lowest excited states of odd rings ([4 n + 2] π-electrons) are antiaromatic. These predictions are borne out by density functional theory (DFT) studies of the nucleus-independent chemical shift (NICS) in the T
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