[8]Cycloparaphenylene derivative 1 has been synthesized and its recognition abilities toward pyridinium guests have been investigated and compared with the [8]CPP macrocycle. The results showed a fine-tuning of the binding properties of [8]CPP 1 toward pyridinium cations due to the presence of the 1,4- DMB ring. DFT calculations indicate that the close steric fitting between the rigid cavity of 1 and the pyridinium guest is the crucial factor for the stabilization of their supramolecular complex through C−H···π and N+···π1,4DMB interactions.

Tuning Cycloparaphenylene Host Properties by Chemical Modification

DELLA SALA, PAOLO;TALOTTA, CARMEN;CARUSO, Tonino;DE ROSA, Margherita;SORIENTE, Annunziata;NERI, Placido;GAETA, CARMINE
2017-01-01

Abstract

[8]Cycloparaphenylene derivative 1 has been synthesized and its recognition abilities toward pyridinium guests have been investigated and compared with the [8]CPP macrocycle. The results showed a fine-tuning of the binding properties of [8]CPP 1 toward pyridinium cations due to the presence of the 1,4- DMB ring. DFT calculations indicate that the close steric fitting between the rigid cavity of 1 and the pyridinium guest is the crucial factor for the stabilization of their supramolecular complex through C−H···π and N+···π1,4DMB interactions.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11386/4697575
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