2026-04-17T06:56:53Zhttps://recercat.cat/oai/requestoai:recercat.cat:10256/245472024-06-18T13:59:00Zcom_2072_452955com_2072_2054col_2072_453073
RECERCAT
author
Leyva-Parra, Luis
author
Pino-Rios, Ricardo
author
Inostroza, Diego
author
Solà i Puig, Miquel
author
Alonso, Mercedes
author
Tiznado, William
2024-06-18T13:59:00Z
2024-06-18T13:59:00Z
info:eu-repo/date/embargoEnd/2025-01-022024-01-02
http://hdl.handle.net/10256/24547
Nowadays, an active research topic is the connection between Clar's rule, aromaticity, and magnetic properties of polycyclic benzenoid hydrocarbons. In the present work, we employ a meticulous magnetically induced current density analysis to define the net current flowing through any cyclic circuit, connecting it to aromaticity based on the ring current concept. Our investigation reveals that the analyzed polycyclic systems display a prominent global ring current, contrasting with subdued semi-local and local ring currents. These patterns align with Clar's aromatic -sextets only in cases where migrating π-sextet structures are invoked. The results of this study will enrich our comprehension of aromaticity and magnetic behavior in such systems, offering significant insights into coexisting ring current circuits in these systems
Tots els drets reservats info:eu-repo/semantics/embargoedAccess
Hidrocarburs aromàtics policíclics
Polycyclic aromatic hydrocarbons
Aromaticitat (Química)
Aromaticity (Chemistry)
Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations
info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion peer-reviewed