Abstract

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.

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