2026-05-28T13:47:14Zhttps://riuma.uma.es/rest/oai/request

oai:riuma.uma.es:10630/251292026-02-03T11:14:59Zcom_10630_2254col_10630_37953

Polycyclic Hydrocarbons from [4n]Annulenes: Correlation versus Hybridization Forces in the Formation of Diradicaloids Moles Quintero, Sergio Haley, Michael M. Kertesz, Miklos Casado-Cordón, Juan Química Física The conceptual connections between [4n] Hückel antiaromaticity, disjoint orbitals, correlation energy, pro-aromaticity and diradical character for a variety of extended π-conjugated systems, including some salient recent examples of nanographenes and polycyclic aromatic radicals, are provided based on their [4n]annulene peripheries. The realization of such structure–property relationships has led to a beneficial pedagogic exercise establishing design guidelines for diradicaloids. The antiaromatic fingerprint of the [4n]annulene peripheries upon orbital interactions due to internal covalent connectors gives insights into the diradicaloid property of a diversity of π-conjugated molecules that have fascinated chemists recently. 2022-09-28T08:17:22Z 2022-09-28T08:17:22Z 2022-09-28T08:17:22Z 2022-08-20 journal article S. Moles Quintero, M. M. Haley, M. Kertesz, J. Casado, Angew. Chem. Int. Ed. 2022, e202209138; Angew. Chem. 2022, e202209138. https://doi.org/10.1002/anie.202209138 https://hdl.handle.net/10630/25129 https://doi.org/10.1002/anie.202209138 eng http://creativecommons.org/licenses/by/4.0/ open access Atribución 4.0 Internacional Wiley