ABSTRACT
Electrostatic 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.
Acknowledgments
This work was financially supported by Ministerio de Economia y Competitividad of Spain (CTQ2017-85919-R) and Xunta de Galicia (ED431C 2017/7 and CITACA Strategic Partnership: ED431E 2018/07).Centro de Supercomputación de Galicia (CESGA) is also acknowledged. M. M-L thanks Xunta de Galicia for a postdoctoral contract (ED481B 2016/166-0).
Disclosure statement
No potential conflict of interest was reported by the authors.
Supplementary material
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