Photoelectron circular dichroism of O 1s-photoelectrons of uniaxially oriented trifluoromethyloxirane: energy dependence and sensitivity to molecular configuration

Autor: C. Küstner-Wetekam, Juliane Siebert, N. M. Novikovskiy, Max Kircher, G. Kastirke, L. Marder, J. Viehmann, Reinhard Dörner, M. Hofmann, Joshua B. Williams, Martin Maurer, Raghu Tomar, K. Fehre, Markus Schöffler, D. Trabert, Markus Ilchen, André Knie, Kiyoshi Ueda, G. Nalin, Sven Grundmann, Florian Trinter, Arnab Khan, Philipp V. Demekhin, M. Waitz, Till Jahnke, Isabel Vela-Perez, Rudolf Pietschnig, Denis Kargin, Dimitrios Tsitsonis, Hironobu Fukuzawa, Nils Anders
Rok vydání: 2021
Předmět:
Zdroj: Physical chemistry, chemical physics 23(32), 17248-17258 (2021). doi:10.1039/D1CP02462K
Physical Chemistry Chemical Physics
ISSN: 1463-9084
Popis: The photoelectron circular dichroism (PECD) of the O 1s-photoelectrons of trifluoromethyloxirane(TFMOx) is studied experimentally and theoretically for different photoelectron kinetic energies. The experiments were performed employing circularly polarized synchrotron radiation and coincidentelectron and fragment ion detection using Cold Target Recoil Ion Momentum Spectroscopy. The corresponding calculations were performed by means of the Single Center method within the relaxed-core Hartree-Fock approximation. We concentrate on the energy dependence of the differential PECD of uniaxially oriented TFMOx molecules, which is accessible through the employed coincident detection. We also compare results for differential PECD of TFMOx to those obtained for the equivalent fragmentation channel and similar photoelectron kinetic energy of methyloxirane (MOx), studied in our previous work. Thereby, we investigate the influence of the substitution of the methyl-group by the trifluoromethyl-group at the chiral center on the molecular chiral response. Finally, the presently obtained angular distribution parameters are compared to those available in literature.
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Databáze: OpenAIRE