Resumen
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.
Idioma original | Inglés |
---|---|
Páginas (desde-hasta) | 12284-12289 |
Número de páginas | 6 |
Publicación | Physical Chemistry Chemical Physics |
Volumen | 25 |
N.º | 17 |
DOI | |
Estado | Aceptada/en prensa - 2023 |
Tipos de productos de Minciencias
- Artículo A1 - Q1