Origin of the high affinity and selectivity of novel receptors for NH4+ over K+:: Charged hydrogen bonds vs cation-π interaction

被引：80

作者：

Oh, KS ^{[1
]}

Lee, CW ^{[1
]}

Choi, HS ^{[1
]}

Lee, SJ ^{[1
]}

Kim, KS ^{[1
]}

机构：

[1] Pohang Univ Sci & Technol, Dept Chem, Div Mol & Life Sci, Natl Creat Res Initiat Ctr Superfunct Mat, Pohang 790784, South Korea

来源：

ORGANIC LETTERS | 2000年 / 2卷 / 17期

关键词：

D O I：

10.1021/ol000159g

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

[GRAPHICS] Given the recent report of a novel pyrazole receptor exhibiting a high selectivity for NH4+ over K+, it would be interesting to investigate the origin of this selectivity and affinity so that better receptors could be designed. On the basis of extensive theoretical studies, we conclude that the origin arises from a subtle interplay of charged H-bonds and cation-pi interactions. The approach employed herein would be very useful in the rational design of novel functional molecular systems.

引用

页码：2679 / 2681

页数：3