Computer-Aided Design of a Sulfate-Encapsulating Receptor

被引：172

作者：

Custelcean, Radu ^{[1
]}

Bosano, Jerome ^{[1
]}

Bonnesen, Peter V. ^{[1
,2
]}

Kertesz, Vilmos ^{[1
]}

Hay, Benjamin P. ^{[1
]}

机构：

[1] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA

[2] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2009年 / 48卷 / 22期

关键词：

anions; cage compounds; hydrogen bonds; self-assembly; supramolecular chemistry; TETRAHEDRAL CAGE COMPLEXES; METAL-ORGANIC FRAMEWORK; COORDINATION CAGES; BASIC SOLUTION; ANION-BINDING; SELECTIVE CRYSTALLIZATION; ORTHOFORMATE HYDROLYSIS; SYNTHETIC RECEPTORS; AQUEOUS-SOLUTION; SOLID-STATE;

D O I：

10.1002/anie.200900108

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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: SO 42-), proved to be a remarkably strong sulfate receptor in water. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：4025 / 4029

页数：5