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• W1980962661 endingPage "339" @default.
• W1980962661 startingPage "313" @default.
• W1980962661 abstract "The C1s and O1s core shake-up and HeII excited valence photoelectron spectra of formaldehyde, acetaldehyde and acetone have been studied experimentally and by INDO/CI calculations. It is found that the presence of π-type orbitals on the CH3 groups of acetaldehyde and acetone is responsible for the large differences found in the core shake-up spectra between these molecules and formaldehyde. Owing to the redistribution of charge upon O1s ionization, the energy ordering of the CO and the CH3 π-type orbitals in acetaldehyde is reversed, compared with the neutral molecule. The ionization from the 6a1 σ(CO) orbital in acetone gives rise to a clearly observable vibrational progression whereas the corresponding orbital in formaldehyde is structureless. This indicates a substantial stabilization of the bonds due to the methyl substitution." @default.
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• W1980962661 date "1991-07-01" @default.
• W1980962661 modified "2023-09-23" @default.
• W1980962661 title "Effects of relaxation and hyperconjugation on shake-up transitions in X-ray excited photoelectron spectra of some small carbonyl compounds" @default.
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• W1980962661 doi "https://doi.org/10.1016/0368-2048(91)85030-w" @default.
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