Experimental and theoretical study of X-ray absorption around the chlorine L edge in vinyl chloride

► We measured the X-ray absorption spectrum of C2H3Cl around the chlorine L edge. ► Ab-initio calculations of the spectrum shed light on eventual electronic resonances. ► Vibrational substructures for particular core excited states are considered. ► The potential energy surfaces of the core excited...

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Bibliographic Details
Published in:Journal of electron spectroscopy and related phenomena 2013-02, Vol.186, p.1-7
Main Authors: Kawerk, Elie, Carniato, Stéphane, Iwayama, Hiroshi, Shigemasa, Eiji, Piancastelli, Maria Novella, Wassaf, Joseph, Khoury, Antonio, Simon, Marc
Format: Article
Language:eng ; fre ; ger
Subjects:
Band spectra
Chlorine
Core excited electronic states
Electronics
Gas phase vinyl chloride
Mathematical analysis
Stopping
Surface chemistry
Vibrational substructures
Vinyl chloride
X-ray absorption
X-rays
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Summary:► We measured the X-ray absorption spectrum of C2H3Cl around the chlorine L edge. ► Ab-initio calculations of the spectrum shed light on eventual electronic resonances. ► Vibrational substructures for particular core excited states are considered. ► The potential energy surfaces of the core excited electronic states are evaluated. ► Sharp or narrow spectral bands are associated to bound or dissociative surfaces. We present a combined experimental and theoretical study of the high-resolution chlorine L edge X-ray absorption spectrum in gas-phase vinyl chloride (C2H3Cl). With the help of ab-initio calculations, we interpret the experimental spectrum and attribute each band to its corresponding electronic transitions terminating at states characterized by an either binding or dissociative potential energy surface (PES). Vibrational substructures in some specific core-excited electronic states are taken into account.
ISSN:0368-2048
1873-2526
1873-2526
DOI:10.1016/j.elspec.2013.01.018