Pyridinium-N-(2-pyridyl)aminides and related compounds: a theoretical study

被引：0

作者：

Alkorta, Ibon ^{[1
]}

Elguero, Jose ^{[1
]}

机构：

[1] CSIC, Inst Quim Med, Juan Cierva 3, E-28006 Madrid, Spain

来源：

ARKIVOC | 2011年

关键词：

Pyridinium-N-aminides; pyrazole; isoxazole; 1,2,3-triazole; furazan; B3LYP/6-31G*; MEP; AZINYLPYRIDINIUM N-AMINIDES; CAMBRIDGE STRUCTURAL DATABASE; REGIOSELECTIVE SYNTHESIS; CHEMISTRY; SALTS;

D O I：

10.3998/ark.5550190.0012.308

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Seven families of pyridinium-N-(heteroaryl)aminides, both azinyl and azolyl, have been studied. For each family, three structures have been considered, the "classical" and two radicals. The transition states corresponding to the rotation of the pyridinium and the heterocycle were calculated at the B3LYP/6-31G* level.

引用

页码：99 / 113

页数：15

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