Intrinsic barrier for protonation of radical anions

被引：5
|
作者：
Rozental, Esther [1 ]
Hoz, Shmaryahu [1 ]
机构：
[1] Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel
来源：
TETRAHEDRON | 2009年 / 65卷 / 52期
关键词：
Radical anion; Protonation; Intrinsic barrier; Marcus equation; ACRYLAMIDE DERIVATIVES; ELECTRON ADDUCTS; GAS-PHASE; SMI2; REDUCTION; DONORS; ACID;
D O I：
10.1016/j.tet.2009.10.092
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Ab initio calculations on radical anions show that. counterintuitively, protonation on the radicaloid carbon is favored. In the case of radical anions derived from acrylonitrile and acrylaldehyde, protonation on the heteroatom is less favored than protonation on the radicaloid carbon. However, in nitroethylene, the preferred protonation site is on the nitro oxygen in accordance with experimental observation. (C) 2009 Elsevier Ltd. All rights reserved.
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页码：10945 / 10949
页数：5
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