ArticleJournal of the American Chemical Society2023
Aromaticity Reversal Induced by Vibrations in Cyclo[16]carbon.
Article in Journal of the American Chemical Society, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
6 citing papers in PubMed, 25 citations in OpenAlex.
- High-Spin-State-Induced Aromaticity Reversal in Cyclo[6]carbon.ACS omega · 2026Article
- How to evaluate aromaticity under pressure? Benzene as a benchmark system.Chemical science · 2026Article
- Deciphering the molecular origin of the 19.3 eV electronic excitation energy of HChemical science · 2026Article
- Enlarged-TriQuinoline (Enl-TQ): Disparity in Chemical Behaviors by Geometric Scaling of the Trimeric Quinoline Ring System.Chemistry, an Asian journal · 2025Article
- A New Set of Aromaticity Descriptors Based on the Electron Density Employing the Distributed Multipole Analysis (DMA).ACS omega · 2025Article
- On the aromaticity of actinide compounds.Nature reviews. Chemistry · 2024Review
Corrections and comments
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Authors and funding
6 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Aromaticity is typically regarded as an intrinsic property of a molecule, correlated with electron delocalization, stability, and other properties. Small variations in the molecular geometry usually result in small changes in aromaticity, in line with Hammond's postulate. For example, introducing bond-length alternation in benzene and square cyclobutadiene by modulating the geometry along the Kekulé vibration gradually decreases the magnitude of their ring currents, making them less aromatic and less antiaromatic, respectively. A sign change in the ring current, corresponding to a reversal of aromaticity, typically requires a gross perturbation such as electronic excitation, addition or removal of two electrons, or a dramatic change in the molecular geometry. Here, we use multireference calculations to show how movement along the Kekulé vibration, which controls bond-length alternation, induces a sudden reversal in the ring current of cyclo[16]carbon, C
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.