The acidities of some indoles

被引：29
|
作者：
Hür, D [1 ]
Güven, A [1 ]
机构：
[1] Anadolu Univ, Fac Sci, Dept Chem, TR-26470 Eskisehir, Turkey
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2002年 / 583卷
关键词：
indole; tautomeric; semiempirical;
D O I：
10.1016/S0166-1280(01)00682-0
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We wish to present an experimental and theoretical study for the estimation of pK(a) values of some 1-, 2- and 1,2-substituted indoles in aqueous solution by spectroscopic and semiempirical methods. The all possible tautomeric equilibria and conformers, if available, of the structures were considered to determine the most stable tautomers and conformers. The calculated pK(a) values were correlated with those found experimentally. (C) 2002 ELsevier Science B.V. All rights reserved.
引用
收藏
页码：1 / 18
页数：18
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