Dissociation of chloromethanes upon resonant σ* excitation studied by x-ray scattering
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Bohinc, R.
Jožef Stefan Institute, Ljubljana, Slovenia
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Žitnik, M.
Jožef Stefan Institute, Ljubljana, Slovenia - Faculty of Mathematics and Physics, University of Ljubljana, Slovenia
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Bučar, K.
Jožef Stefan Institute, Ljubljana, Slovenia
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Kavčič, Matjaz
Jožef Stefan Institute, Ljubljana, Slovenia
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Journel, L.
UPMC, Université Paris, France
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Guillemin, R.
UPMC, Université Paris, France
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Marchenko, T.
UPMC, Université Paris, France
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Simon, M.
UPMC, Université Paris, France
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Cao, Wei
Department of Physics, University of Oulu, Finland - Department of Physics, University of Fribourg, Switzerland
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Published in:
- The Journal of Chemical Physics. - 2014, vol. 139, no. 13, p. 134302
English
The dissociation process following the Cl K-shell excitation to σ* resonances is studied by high resolution spectroscopy of resonant elastic and inelastic x-ray scattering on CH3Cl, CH2Cl2, CHCl3, and CCl4 molecules. Calculations employing the transition potential and Delta-Kohn-Sham DFT approach are in good agreement with the measured total fluorescence yield and show the presence of a second quasidegenerate group of states with σ* character above the lowest σ* unoccupied molecular orbital for molecules with more than one Cl atom. A bandwidth narrowing and a nonlinear dispersion behavior is extracted from the Kα spectral maps for both σ* resonances. The fitted data indicate that the widths of the Franck-Condon distributions for the first and second σ* resonances are comparable for all the molecules under study. In addition, an asymmetric broadening of the emission peaks is observed for resonant elastic x-ray scattering with zero detuning on both σ* resonances. This is attributed to the fast dissociation, transferring about 0.15 of the scattering probability into higher vibrational modes
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Faculty
- Faculté des sciences et de médecine
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Department
- Département de Physique
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Language
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Classification
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Physics
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License
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License undefined
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Identifiers
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Persistent URL
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https://folia.unifr.ch/unifr/documents/303589
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