Photoelectron circular dichroism of O 1s-photoelectrons of uniaxially oriented trifluoromethyloxirane: energy dependence and sensitivity to molecular configuration. Issue 32 (4th August 2021)

• Record Type: Journal Article
• Authors: Nalin, Giammarco; Fehre, Kilian; Trinter, Florian; Novikovskiy, Nikolay M.; Anders, Nils; Trabert, Daniel; Grundmann, Sven; Kircher, Max; Khan, Arnab; Tomar, Raghu; Hofmann, Max; Waitz, Markus; Vela-Pérez, Isabel; Kastirke, Gregor; Siebert, Juliane; Tsitsonis, Dimitrios; Fukuzawa, Hironobu; Ueda, Kiyoshi; Williams, Joshua B.; Kargin, Denis; Maurer, Martin; Küstner-Wetekam, Catmarna; Marder, Lutz; Viehmann, Johannes; Knie, André; Jahnke, Till; Ilchen, Markus; Dörner, Reinhard; Pietschnig, Rudolf; Demekhin, Philipp V.; Schöffler, Markus S.;
• Is Part Of: Physical chemistry chemical physics. Volume 23:Issue 32(2021)
• Page Start: 17248
• Page End: 17258
• Publication Date: 2021-08-04
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/d1cp02462k
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Distant ligands invert photoelectron circular dichroism. Abstract : 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 coincident electron 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 the results for the 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 the literature.