Computer-Aided Design of a Sulfate-Encapsulating Receptor

Computer-Aided Design of a Sulfate-Encapsulating Receptor

Custom built: A promising new approach towards more efficient self-assembled cage receptors through computer-aided design is demonstrated. The resulting M₄L₆ tetrahedral cage, internally functionalized with accurately positioned urea hydrogen-bonding groups (see structure; yellow: predicted, blue: e...

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Veröffentlicht in:Angewandte Chemie (International ed.) 2009-01, Vol.48 (22), p.4025-4029
Hauptverfasser: Custelcean, Radu, Bosano, Jerome, Bonnesen, Peter V, Kertesz, Vilmos, Hay, Benjamin P
Format: Artikel
Sprache:eng
Schlagworte:
ANIONS
cage compounds
Capsules - chemical synthesis
CHEMICAL BONDS
COMPUTER-AIDED DESIGN
Hydrogen Bonding
hydrogen bonds
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
Nickel - chemistry
RECEPTORS
self‐assembly
SULFATES
supramolecular chemistry
UREA
WATER
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Beschreibung
Zusammenfassung:Custom built: A promising new approach towards more efficient self-assembled cage receptors through computer-aided design is demonstrated. The resulting M₄L₆ tetrahedral cage, internally functionalized with accurately positioned urea hydrogen-bonding groups (see structure; yellow: predicted, blue: experimental, space-filling: SO₄ ²⁻), proved to be a remarkably strong sulfate receptor in water.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200900108