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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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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cited_by cdi_FETCH-LOGICAL-c350t-9faf48a1b3011d90d90b35848e5cd93a51083dbf3e36b48879eea5cafbc226853
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container_end_page 144301
container_issue 14
container_start_page 144301
container_title The Journal of chemical physics
container_volume 141
creator 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
description 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.
doi_str_mv 10.1063/1.4897251
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source American Institute of Physics:Jisc Collections:Transitional Journals Agreement 2021-23 (Reading list); American Institute of Physics
subjects Chlorine
Electronic structure
Emission analysis
Emission spectra
Inelastic scattering
Physics
Potential energy
Vapor phases
X ray absorption
X ray spectra
X-ray scattering
title Resonant inelastic x-ray scattering on iso-C₂H₂Cl₂ around the chlorine K-edge: structural and dynamical aspects
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