gsch_a_1685672_sm0319.pdf (1.35 MB)
Aromatic interactions of allenyl-anthracene derivatives with pi-electron acceptor molecules: an experimental and computational study
journal contribution
posted on 2019-11-01, 11:00 authored by Ángel Vidal-Vidal, José-Lorenzo Alonso-Gómez, María Magdalena Cid, Marta Marín-LunaElectrostatic effects play an important role in aromatic interactions towards molecular recognition. Anthraceno-allenophanes are cyclic π-conjugated aromatic systems able to recognise complementary molecules through aromatic interactions. A computational and experimental study has shown that the dispersive contribution is the predominant stabilising term in the interaction of an allenyl-anthracene derivative with relevant π-acceptor molecules, such as pentafluorophenol, picric acid and 2,3-dichloro-5,6-dicyano-1,4-quinone.