A theoretical study on the basicity of carbonyl compounds in CCl4

被引：3

作者：

Carrasco, N ^{[1
]}

González-Nilo, F ^{[1
]}

Rezende, MC ^{[1
]}

机构：

[1] Univ Santiago Chile, Fac Quim & Biol, Santiago, Chile

来源：

TETRAHEDRON | 2002年 / 58卷 / 25期

关键词：

carbonyl compounds; basicity; DFT calculations;

D O I：

10.1016/S0040-4020(02)00457-X

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The basicity of 21 carbonyl compounds, measured in CCl4 in the presence of 4-fluorophenol as reference, was interpreted in terms of two theoretical descriptors, the global energy of protonation DeltaE and the charge variation on the oxygen atom Deltaq(o), calculated with a hybrid DFT method (B3LYP/6-31G(d)). (C) 2002 Elsevier Science Ltd. All rights reserved.

引用

页码：5141 / 5145

页数：5

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