Vibrationally resolved N 1s absorption spectra of the acrylonitrile molecule

Ilakovac, Vita and Houari, Ymene and Carniato, Stephane and Gallet, Jean-Jacques and Kukk, Edwin and Horvatić, Davor (2012) Vibrationally resolved N 1s absorption spectra of the acrylonitrile molecule. Physical Review A, 85 (6). pp. 62521-6. ISSN 1050-2947

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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.

Item Type: Article
Date: June 2012
Subjects: NATURAL SCIENCES > Physics
Additional Information: Copyright (2012) by the American Physical Society.
Divisions: Faculty of Science > Department of Physics
Publisher: American Physical Society
Depositing User: Gordana Stubičan Ladešić
Date Deposited: 26 Aug 2014 14:05
Last Modified: 26 Aug 2014 14:05

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