Encapsulation of Astatide by a water cage
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Fecha
2023Autor
Gómez S
Flórez E
Acelas N
Hadad C
Restrepo A.
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A 512 cage of (H2O)20 consisting of 30 hydrogen bonds encapsulates Astatide with little geometrical distortion. The cage is marginally destabilized but the non-covalent interactions are actually strengthened. Host⋯cage interactions in the [At@(H2O)20]− cluster are anti-electrostatic, placing both negatively charged atoms in direct contact as in Atδ−⋯δ−O-Hδ+. An orbital interaction analysis reveals that explicit host⋯cage contacts are “inverted” hydrogen bonds. That is, the same type of donor→acceptor charge transfer as in hydrogen bonding, with no proton bridging the two negative charges. © 2023 The Royal Society of Chemistry.
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