Prototropic Tautomerism in 2- and 4-Hydroxypyridines : Halogen Substituent Effects in the Gas Phase Calculated by Semiempirical (AM1) Method

• Autorzy: Raczyńska E.
• Języki publikacji: EN

Abstrakty

EN

Tautomeric equilibrium constants were calculated in the gas phase for unsubstituted, mono- and tetrahalogenated 4-hydroxypyridines and for unsubstituted, mono-, di- and tetrahalogenated 4-hydroxypyridines using semiempirical method. Influence of position of halogen on the pK is studied and compared with that found previously in solution.

Słowa kluczowe

EN

prototropic tautomerism in the gas phase; 2- and 4-hydroxypiridines; halogen substituent effects; solvation effects; semiempirical calculations

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 1999
• Tom: Vol. 73, nr 11
• Strony: 1863--1876

Twórcy

autor

Raczyńska E.

• Akademia Rolnicza Instytut Chemii Ogólnej Rakowiecka 26/30 02-528 Warszawa