A density functional study towards the preferential binding of anions to urea and thiourea

被引：73

作者：

Amilan Jose, D. ^{[1
]}

Singh, Ajeet ^{[1
]}

Das, Amitava ^{[1
]}

Ganguly, Bishwajit ^{[1
]}

机构：

[1] CSIR, Cent Salt & Marine Chem Res Inst, Bhavnagar 364002, Gujarat, India

来源：

TETRAHEDRON LETTERS | 2007年 / 48卷 / 21期

关键词：

anion sensor; DFT calculation; urea/thiourea; selectivity;

D O I：

10.1016/j.tetlet.2007.03.120

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A DFT study predicted the trend towards binding of anions with simple urea/thiourea receptor units, which has been found to be in good agreement with experimentally observed results. Our results provide a trend for the interaction of anions of different shapes with urea/thiourea receptor molecules, which do not always follow the basicity scale of anions. (c) 2007 Elsevier Ltd. All rights reserved.

引用

页码：3695 / 3698

页数：4

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