Stability of carboxonium ions

被引：14

作者：

Miller, SR ^{[1
]}

Krasutsky, S ^{[1
]}

Kiprof, P ^{[1
]}

机构：

[1] Univ Minnesota, Dept Chem, Duluth, MN 55812 USA

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2004年 / 674卷 / 1-3期

关键词：

ab initio; carbocation; carboxonium ions; natural bond orbital; resonance;

D O I：

10.1016/j.theochem.2003.12.044

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：

Carboxonium ions were studied through analysis of the bonding situation in terms of natural bond order, natural resonance structure contributors and charges. The stabilizing effect of oxygen was also elucidated through hydride exchange reactions and study of the pi interactions of the cationic carbon with oxygen substituents. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：43 / 47

页数：5

共 13 条

[1]

BAYER A, 1889, BER, V32, P3625

[2]

BAYER A, 1900, BER, V33, P858

[3]

Criegee R., 1944, Ber. Dtsch. Chem. Ges, V77, P722

[4]

Frisch M. J., 2016, J AM CHEM SOC, DOI DOI 10.1021/JA205566W