optimized structure of the Cc conformer of glycolaldehyde. The internal H-bond distance is in pm.
FTIR spectra of glycolaldehyde isolated in Ar matrix at 17 K (a) and in matrix at 4 K (b) in two spectral regions: (top) and (bottom). The bottom spectra are scaled by 1.5 for clarity. The inset shows an expanded view in the region. Lines indicated by dash signs are due to atmospheric water not being well compensated.
Enlargements of Fig. 2 in the region of the OH stretch (a), stretch (b), stretch (c), CH and OH bend (d), CO stretch (e), and CC stretch (f) vibrational modes. Spectra are scaled with different factors for clarity.
FTIR spectrum of GA in (middle) and theoretical frequencies (stick spectra) calculated at the level with the harmonic (top) and anharmonic (bottom) approaches.
IR absorption spectra in different spectral regions for GA isolated in matrix with different amounts of at 4 K at resolution: a) region of nonrotating complexed with , (b) OH stretch, (c) in-plane CH bend, and (d) CO stretch. Traces I, II, and III refer to concentrations of 1500, 9000, and 11 000 ppm, respectively, and trace IV to GA isolated in matrix.
Experimental IR frequencies of glycolaldehyde in argon, parahydrogen, and normal hydrogen matrices compared with calculated harmonic (nonscaled) and anharmonic frequencies for the symmetry of Cc conformer. Calculated IR intensities (in italic) are in ; frequencies are in . Brackets indicate bands due to site effect.
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