Quantum-chemical study of the electrophilicities of ynamino and ynaziridino esters

D. A. Tikhomirov; M. A. Shokhen; A. V. Eremeev

doi:10.1007/BF00479606

Quantum-chemical study of the electrophilicities of ynamino and ynaziridino esters

D. A. Tikhomirov, M. A. Shokhen, A. V. Eremeev

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Abstract

The geometries, conformations, and electron structures of the methyl esters of dimethylamino- and (1-aziridino)propiolic acid were studied by means of the MNDO method. It was shown that the energies of the lowest vacant molecular orbital may serve as a measure of the electrophilicities of these compounds. The increased electrophilicity of the ynaziridino ester is associated with the greater pyramidal character of the nitrogen atom in the aziridine ring.

Original language	English
Pages (from-to)	884-888
Number of pages	5
Journal	Chemistry of Heterocyclic Compounds
Volume	25
Issue number	8
DOIs	https://doi.org/10.1007/BF00479606
State	Published - Aug 1989
Externally published	Yes

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author = "Tikhomirov, {D. A.} and Shokhen, {M. A.} and Eremeev, {A. V.}",

year = "1989",

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Quantum-chemical study of the electrophilicities of ynamino and ynaziridino esters

Abstract

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