Perturbing pentalene: aromaticity and antiaromaticity in a non‐alternant polycyclic aromatic hydrocarbon and BN‐heteroanalogues

Anstöter, C.S. orcid.org/0000-0002-3412-2511 and Fowler, P.W. orcid.org/0000-0003-2106-1104 (2025) Perturbing pentalene: aromaticity and antiaromaticity in a non‐alternant polycyclic aromatic hydrocarbon and BN‐heteroanalogues. ChemPhysChem. e202401069. ISSN 1439-4235

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Item Type: Article
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© 2025 The Authors. ChemPhysChem published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. http://creativecommons.org/licenses/by/4.0/

Keywords: Ab initio calculations; antiaromaticity; aromaticity; current-density maps; ipsocentric; ring currents; selection rules; symmetry
Dates:
  • Published: 16 March 2025
  • Published (online): 16 March 2025
  • Submitted: 28 November 2024
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield)
Depositing User: Symplectic Sheffield
Date Deposited: 25 Mar 2025 14:43
Last Modified: 25 Mar 2025 14:43
Status: Published online
Publisher: Wiley
Refereed: Yes
Identification Number: 10.1002/cphc.202401069
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