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Inne
Characterisation of the PT-form of o-hydroxy acylaromatic Schiff bases by NMR spectroscopy and DFT calculations.
Autorzy
Rok wydania
2004
Czasopismo
Journal of Molecular Structure
Numer woluminu
707
Strony
69-75
DOI
10.1016/j.molstruc.2004.06.030
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
A series of o-hydroxy Schiff bases showing tautomerism to a varying degree are investigated together with compounds totally at the proton transfer form (enamines). Deuterium isotope effects on 13C chemical shifts are measured at different temperatures. Structural features determining the equilibrium constants are discussed. DFT calculations are done in order to obtain structures. Schiff bases derived from dehydracetic acid (3-acetyl-6-methyl-pyran-2,4-dione) as well as from 1,3,5-triacetyl-2,4,6-trihydroxybenzene are found to be fully at the PT-form. These forms are characterised and the use of these compounds as reference for the PT-form in general is discussed.
Słowa kluczowe
Schiff bases, Theoretical DFT calculations, Deuterium isotope effects on chemical shifts, o-Hydroxy acylaromatics
Adres publiczny
https://doi.org/10.1016/j.molstruc.2004.06.030
Strona internetowa wydawcy
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