Valence-shell ionization of acetyl cyanide: simulation of the photoelectron and infra-red spectra
- Resource Type
- Authors
- Stéphane Carniato
- Source
- Physical chemistry chemical physics : PCCP. 24(39)
- Subject
- General Physics and Astronomy
Physical and Theoretical Chemistry
- Language
- ISSN
- 1463-9084
Simulated vibrational profiles of the 1st and 2nd lines of the valence photoelectron spectrum of CH3COCN in gas phase. For the second band (A′′), activation of the torsion mode induced by the rotation (60 degrees) of the methyl group is evidenced.