Thermodynamic characterization of tautomeric equilibria by multinuclear magnetic resonance. Application to 3-hydroxypyridine

Autor:	Obdulio López-Mayorga, Juan Llor, Luis Muñoz
Rok vydání:	1993
Předmět:	Chemistry Chemical shift Enthalpy Physical chemistry General Materials Science General Chemistry Nuclear magnetic resonance spectroscopy Carbon-13 NMR Tautomer Equilibrium constant Characterization (materials science)
Zdroj:	Magnetic Resonance in Chemistry. 31:552-556
ISSN:	1097-458X 0749-1581
DOI:	10.1002/mrc.1260310607
Popis:	A marked temperature dependence of the 13 C and 15 N chemical shifts of 3-hydroxypyridine in D 2 O (pD=7.0) was observed. This dependence is explained in terms of thermally induced equilibrium shifts between the neutral form and the zwitterionic form of 3-hydroxypyridine. A method was developed to characterize the thermodynamics of the equilibria that are rapid on the NMR time scale, using the observed average 13 C and 15 N chemical shifts different temperatures. This method was applied to the thermodynamics of the tautomerization equilibria of 3-hydroxypyridine. The equilibrium constants and the standars enthalpy change of the tautomerization equilibrium obtained by 13 C and 15 N methods agree very well with the results obtained by other spectroscopic methods
Databáze:	OpenAIRE
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