Quantum-chemical study of the electrophilicities of ynamino and ynaziridino esters View Full Text


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Article Info

DATE

1989-08

AUTHORS

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

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. More... »

PAGES

884-888

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00479606

DOI

http://dx.doi.org/10.1007/bf00479606

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1052292762


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