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Issue 20, 2020
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Stabilisation of dianion dimers trapped inside cyanostar macrocycles

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Abstract

Interanionic H-bonds (IAHBs) are unfavourable interactions in the gas phase becoming favoured when anions are in solution. Dianion dimers are also susceptible to being trapped inside the cavities of cyanostar (CS) macrocycles, and thus, the formation of 2 : 2 anion : cyanostar aggregates is mainly supported by three kinds of interactions: IAHBs between the dianions, π–π stacking between the confronted cyanostars, and the presence of an intricate network of multiple C(sp2)H⋯O H-bonds between cyanostar ligands and the anionic moieties. An analysis of the interaction energies supported by NBO reveals a slight cooperative effect of the CSs on the IAHB stabilisation.

Graphical abstract: Stabilisation of dianion dimers trapped inside cyanostar macrocycles

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Article information


Submitted
09 Mar 2020
Accepted
21 Apr 2020
First published
21 Apr 2020

Phys. Chem. Chem. Phys., 2020,22, 11348-11353
Article type
Paper

Stabilisation of dianion dimers trapped inside cyanostar macrocycles

L. M. Azofra, J. Elguero and I. Alkorta, Phys. Chem. Chem. Phys., 2020, 22, 11348
DOI: 10.1039/D0CP01321H

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