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Structures, stabilities, and energies of isomerization of some alkyl cyanides and isocyanides and their corresponding α-cyanocarbonium and α-isocyanocarbonium ions

✍ Scribed by J. B. Moffat

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
422 KB
Volume
19
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Ab initio STO‐3G geometry‐optimized calculations have been performed on methyl, ethyl, and isopropyl cyanides and isocyanides, and the cations formed on abstraction of an α‐hydride ion. Stabilization energies of the cations and cyanide–isocyanide isomerization energies have been calculated and correlated with structural features and population analyses.

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Structures, stabilities, and energies of
Structures, stabilities, and energies of isomerization of α-cyano and α-isocyano carbanions
✍ J. B. Moffat 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 383 KB

## Abstract __Ab initio__ STO‐3__G__ calculations show that α‐cyano‐ and α‐isocyano‐substitution on carbanions produce a significant approximately equal stabilization of these charged species. Evidence is presented which suggests that the mechanism of such stabilization is qualitatively different f