posted on 2023-12-12, 10:43authored bySarai
Dery Folkestad, Alexander C. Paul, Aurora Ponzi, Cesare Grazioli, Marcello Coreno, Monica de Simone, Henrik Koch, Sonia Coriani
The core-level electron excitation and ionization spectra
of glycolaldehyde
have been investigated by photoabsorption and photoemission spectroscopy
at both carbon and oxygen K-edges; the valence ionization
spectra were also recorded by photoelectron spectroscopy in the UV–vis
region. The spectra are interpreted by means of ab initio calculations
based on the equation-of-motion coupled cluster singles and doubles
(EOM-CCSD) and coupled cluster singles, doubles, and perturbative
are in good agreement with the experimental results, and many of
the observed features are assigned. The photoabsorption spectra are
not only dominated by transitions from core-level orbitals to unoccupied
π and σ orbitals but also show structures due to Rydberg
transitions.