Details

Autor(en) / Beteiligte

• Moles Quintero, Sergio
• Haley, Michael M.
• Kertesz, Miklos
• Casado, Juan

Titel

Polycyclic Hydrocarbons from [4n]Annulenes: Correlation versus Hybridization Forces in the Formation of Diradicaloids

Ist Teil von

• Angewandte Chemie (International ed.), 2022-11, Vol.61 (44), p.e202209138-n/a

Auflage

International ed. in English

Ort / Verlag

Germany: Wiley Subscription Services, Inc

Erscheinungsjahr

2022

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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. A conceptual electronic structure trip from [4n] Hückel antiaromatics to diradicaloids and to more hierarchical complex molecular shapes made by internal covalent hybridization of the peripheral [4n] π‐electron circuit is described. Focus is on the underlying physical organic chemistry implications.