The trans-conformer of the ethanol molecule with the atoms numbered.
FTIR spectra of the ethanol molecule in the range 600–1500 cm−1, with experimentally recorded spectra for molecular ratios of 1:2000 (a) and 1:1000 (b). The theoretically calculated spectrum is shown as curve c.
Calculated vibrational frequencies in the harmonic and anharmonic approximations for the trans- and gauche-conformers of the ethanol molecule.
Relative energies of the ground states and barriers to internal rotation of the hydroxyl and methyl groups of trans- and gauche-conformers of the ethanol molecule.
Some structural parameters and the centrifugal tension constants of the trans- and gauche-conformers of the ethanol molecule.
Geometric parameters of trans- (t) and gauche- (g) conformers of the ethanol molecule.
Frequencies and intensities of the experimentally observed absorption bands and scattering lines in IR and Raman scattering spectra of ethanol from the present work and published data.
Comparison of calculated and observed vibrational frequencies of the ethanol molecule.
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