期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 11, 期 22, 页码 6560-6567出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.200500783
关键词
ab initio calculations; isocyanuric acid; pi interactions; receptors
Several structures of a complexes of isocyanuric acid and of several thio derivatives with anions have been computed by using high level ab initio calculations. The nature of the complexes has been studied by means of the method of molecular interaction potential with polarization (MIPp) and Bader's theory of atoms-in-molecules. These molecules form favorable complexes with anions and can be used as binding units for building receptors for the molecular recognition of anions. In several cases, the anion-pi interaction has been demonstrated experimentally by means of X-ray crystallography.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据