Switch from local to global aromatic character in Mobius carbon nanobelts upon dioxidation. Evaluation of magnetic behavior in neutral and charged species

Macleod-Carey, Desmond; Munoz-Castro, Alvaro

Abstract

Here we show that recent Mobius carbon nanobelts (MCNBs) can be switched from a local to a global aromatic behavior upon dioxidation. Hence, large aromatic structures can be achieved by the choice of the charge states, giving rise to shielding cone characteristics extended within the overall structure at the nanoscale regime, pushing the limit of aromatic circuits to 198 pi-electrons.

Más información

Título según WOS: ID WOS:000920701900001 Not found in local WOS DB
Título de la Revista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volumen: 25
Número: 6
Editorial: ROYAL SOC CHEMISTRY
Fecha de publicación: 2023
Página de inicio: 4467
Página final: 4471
DOI:

10.1039/d2cp05326h

Notas: ISI