ArticleThe journal of physical chemistry. A2024
Argentophilic Interactions, Flexibility, and Dynamics of Pyrrole Cages Encapsulating Silver(I) Clusters.
Article in The journal of physical chemistry. A, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Metallophilicity Under Confinement: The Iminopyrrole Cage Promoting the HgInorganic chemistry · 2026Article
- Tautomerism-Coupled Self-Assembly and Transformations of Iminopyrrole Metallacages.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Electropolymerization of Silver(I) Helicate into Conductive Metallopolymer: Structural and Functional Insights.Inorganic chemistry · 2025Article
- A Dynamic Silver(I) Nanocluster Holds Together a 3 × 3 Self-Assembled Grid.Journal of the American Chemical Society · 2025Article
- The Interplay Between Component Denticity and Flexibility Promotes the Formation of [AgAngewandte Chemie (International ed. in English) · 2025Article
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Authors and funding
5 authors.
Funding
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Abstract
Recently, pyrrole cages have been synthesized that encapsulate ion pairs and silver(I) clusters to form intricate supramolecular capsules. We report here a computational analysis of these structures using density functional theory combined with a semiempirical tight-binding approach. We find that for neutral pyrrole cages, the Gibbs free energies of formation provide reliable predictions for the ratio of bound ions. For charged pyrrole cages, we find strong argentophilic interactions between Ag ions on the basis of the calculated bond indices and molecular orbitals. For the cage with the Ag
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