Keto–enol tautomers of 1, 2-cyclohexanedione in solid, liquid, vapour and a cold inert gas matrix: Infrared spectroscopy and quantum chemistry calculation
Fourier transform infrared (FTIR) spectroscopy of 1, 2-cyclohexanedione (CHD) has been
studied with the neat sample, low-pressure vapour, CCl4 solution and in cold N2 matrix. The
matrix-isolation spectrum has been assigned exclusively in terms of transitions of the enol
tautomer, that is stabilized by an intramolecular O⋯ HO hydrogen bond (HB). The vibrational
fundamentals of the diketo tautomer appear weakly in the spectra of CCl4 solution and
vapour. On the other hand, the spectrum of the neat sample shows significant population of …
studied with the neat sample, low-pressure vapour, CCl4 solution and in cold N2 matrix. The
matrix-isolation spectrum has been assigned exclusively in terms of transitions of the enol
tautomer, that is stabilized by an intramolecular O⋯ HO hydrogen bond (HB). The vibrational
fundamentals of the diketo tautomer appear weakly in the spectra of CCl4 solution and
vapour. On the other hand, the spectrum of the neat sample shows significant population of …
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