Vibrationally resolved N 1s absorption spectra of the acrylonitrile molecule

Scientific paper - Original scientific paper

• Author: Vita Ilakovac
• Author: Ymene Houari
• Author: Stephane Carniato
• Author: Jean-Jacques Gallet
• Author: Edwin Kukk
• Author: Davor Horvatić
• Author's institution: University of Zagreb; Faculty of Science; (Department of Physics)
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Physics

Abstract (english)

Besides two strong π∗⊥1 and π∗∥ resonances in the 398- to 400-eV energy range, N 1s near edge x-ray absorption fine structure spectra of acrylonitrile molecules have a less intense 401- to 403-eV doublet. The two components correspond to the N 1s → π∗⊥2 and N 1s → D∗∥ transitions, where D∗∥ is a diffuse state with strong Rydberg character. The vibrational analysis shows that in the D∗∥ excited state, two low-energy out-of-plane normal modes are strongly excited. The π∗⊥2 excitation triggers a set of in-plane vibrations, in particular, two C=C–C≡N bendings of the molecule.

• Language: english
• Publication type: Scientific paper - Original scientific paper
• Publication status: Published
• Peer review: Peer review - international
• Publication version: Published version
• Journal title: Physical Review A
• Numbering: vol. 85, no. 6, 062521
• p-ISSN: 1050-2947
• DOI: https://doi.org/10.1103/PhysRevA.85.062521
• URN:NBN: urn:nbn:hr:217:253815
• Publication: 2012
• Document URL: http://link.aps.org/doi/10.1103/PhysRevA.85.062521
• Type of resource: Text
• Access conditions: Open access
• Public note: Copyright (2012) by the American Physical Society. Received 26 April 2012; published 29 June 2012.
• Repository: Repository of the Faculty of Science
• Created on: 2019-11-16 17:57:41