Tautomerism of pyridinylbutane‐1,3‐diones: An NMR and DFT study

The three possible 1‐(n‐pyridinyl)butane‐1,3‐diones (nPM) have been synthesized. Structures, tautomerism, and conformations are investigated by means of DFT calculations. 1H and 13C NMR spectra are assigned, and deuterium isotope effects on 13C chemical shifts have been measured. Analysis of the iso...

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Veröffentlicht in:	Magnetic resonance in chemistry 2023-06, Vol.61 (6), p.356-362
Hauptverfasser:	Hansen, Poul Erik, Darugar, Vahidreza, Vakili, Mohammad, Kamounah, Fadhil S.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical bonds Chemical equilibrium Deuterium DFT calculations hydrogen bonding Hydrogen bonds isotope effects on chemical shifts Mathematical analysis NMR Nuclear magnetic resonance pyridinylbutane‐1,3‐diones tautomerism β‐diketones
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