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

Autor:	A. V. Eremeev, D. A. Tikhomirov, M. A. Shokhen
Rok vydání:	1989
Předmět:	Quantum chemical chemistry.chemical_compound Propiolic acid Chemistry Computational chemistry Organic Chemistry Electrophile MNDO Molecular orbital Electron Aziridine Ring (chemistry) Photochemistry
Zdroj:	Chemistry of Heterocyclic Compounds. 25:884-888
ISSN:	1573-8353 0009-3122
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9a3148af52b59c1c142bab6e95ae1f19 https://doi.org/10.1007/bf00479606 Zobrazit plný text záznamu Full text from SpringerLink