Premium
Computer‐Aided Design of a Sulfate‐Encapsulating Receptor
Author(s) -
Custelcean Radu,
Bosano Jerome,
Bonnesen Peter V.,
Kertesz Vilmos,
Hay Benjamin P.
Publication year - 2009
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200900108
Subject(s) - urea , hydrogen bond , sulfate , tetrahedron , cage , chemistry , materials science , computer science , crystallography , chemical engineering , nanotechnology , molecule , engineering , organic chemistry , structural engineering
Custom built : A promising new approach towards more efficient self‐assembled cage receptors through computer‐aided design is demonstrated. The resulting M 4 L 6 tetrahedral cage, internally functionalized with accurately positioned urea hydrogen‐bonding groups (see structure; yellow: predicted, blue: experimental, space‐filling: SO 4 2− ), proved to be a remarkably strong sulfate receptor in water.