Computer‐Aided Design of a Sulfate‐Encapsulating Receptor | Zendy

Custelcean Radu | Zendy; Bosano Jerome | Zendy; Bonnesen Peter V. | Zendy; Kertesz Vilmos | Zendy; Hay Benjamin P. | Zendy

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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.

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