Stabilisation of dianion dimers trapped inside cyanostar macrocycles

文献情報

出版日 2020-04-21

DOI 10.1039/D0CP01321H

インパクトファクター 3.676

著者

José Elguero, Ibon Alkorta

原文を見る

要旨

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.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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