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Theoretical description of solvent effects. V. The medium influence on the lactim-lactam tautomerism of hydroxyazines

✍ Scribed by Dipl.-Chem. C. Krebs; Dr. W. Förster; Doz. Dr. C. Weiss; Dr. H.-J. Hofmann

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
527 KB
Volume
324
Category
Article
ISSN
1615-4150

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✦ Synopsis

Theoretische Beschreibung von Lösungsmitteleffekten. V. Der Mediumeinfluß auf die Lactim‐Lactam‐Tautomerie von Hydroxyazinen

Der Lösungsmitteleffekt auf die Tautomeriegleichgewichte der Titelverbindungen wird mit Hilfe klassischer und quantenchemischer Versionen der Solvatonen‐ und der Reaktionsfeldtheorie berechnet. In Übereinstimmung mit dem Experiment ergeben alle getesteten Verfahren eine Gleichgewichtsverschiebung zugunsten der Lactamform. Zur quantitativen Beschreibung dieses Effektes ist jedoch das Reaktionsfeldmodell besser geeignet.

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