Empirical scale of nucleophilicity for substituted pyridines

被引：25

作者：

Campodónico, PR

Aizman, A

Contreras, R

机构：

[1] Univ Chile, Fac Ciencias, Dept Fis, Santiago, Chile

[2] Univ Tecn Federico Santa Maria, Dept Quim, Valparaiso, Chile

[3] Univ Chile, Fac Ciencias, Dept Quim, Santiago, Chile

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 422卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2006.02.045

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：

Two classical tools, the intermolecular stretching force constants of H-bonded complexes and the molecular electrostatic potential are used to propose a nucleophilicity index evaluated for a series of pyridines. The model is validated against kinetic data recorded for the aminolysis of S-methyl 2,4-dinitrophenyl thiocarbonate. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：204 / 209

页数：6

共 32 条

[11] Theoretical investigations on structure, electrostatic potentials and vibrational frequencies of diglyme and Li+-(diglyme) conformers [J].