Resonant inelastic x-ray scattering on iso-C₂H₂Cl₂ around the chlorine K-edge: structural and dynamical aspects

We report a theoretical and experimental study of the high resolution resonant K(α) X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the...

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Bibliographic Details
Published in:The Journal of chemical physics 2014-10, Vol.141 (14), p.144301-144301
Main Authors: Kawerk, Elie, Carniato, Stéphane, Journel, Loïc, Marchenko, Tatiana, Piancastelli, Maria Novella, Žitnik, Matjaž, Bučar, Klemen, Bohnic, Rok, Kavčič, Matjaž, Céolin, Denis, Khoury, Antonio, Simon, Marc
Format: Article
Language:English
Subjects:
Chlorine
Electronic structure
Emission analysis
Emission spectra
Inelastic scattering
Physics
Potential energy
Vapor phases
X ray absorption
X ray spectra
X-ray scattering
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Summary:We report a theoretical and experimental study of the high resolution resonant K(α) X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K(α) emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.
ISSN:0021-9606
1089-7690
1089-7690
DOI:10.1063/1.4897251