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Computer‐Aided Design of a Sulfate‐Encapsulating Receptor
Authors:Radu Custelcean Dr.  Jerome Bosano  Peter V. Bonnesen Dr.  Vilmos Kertesz Dr.  Benjamin P. Hay Dr.
Affiliation:1. Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN (USA), Fax: (+1)?865‐574‐4939;2. Center for Nanophase Materials Science, Oak Ridge National Laboratory, Oak Ridge, TN (USA)
Abstract:
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: SO42?), proved to be a remarkably strong sulfate receptor in water.
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Keywords:anions  cage compounds  hydrogen bonds  self‐assembly  supramolecular chemistry
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