Resonant inelastic x-ray scattering on iso-C{sub 2}H{sub 2}Cl{sub 2} around the chlorine K-edge: Structural and dynamical aspects

Journal Article · Tue Oct 14 00:00:00 EDT 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4897251· OSTI ID:22436573

Kawerk, Elie ^[1]; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Simon, Marc ^[1]; Piancastelli, Maria Novella ^[1]; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok ^[2]; others, and

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1. CNRS, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris (France)
2. Jožef Stefan Institute, Jamova cesta 39, SI-1000 Ljubljana (Slovenia)

We report a theoretical and experimental study of the high resolution resonant K{sub 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{sub 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.

• OSTI ID: 22436573
• Journal Information: Journal of Chemical Physics, Vol. 141, Issue 14; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ABSORPTION
CHLORINE
CROSS SECTIONS
EMISSION
EMISSION SPECTRA
EVALUATION
EXCITED STATES
PEAKS
POTENTIAL ENERGY
X RADIATION
X-RAY DIFFRACTION