Photoelectron circular dichroism of O 1s-photoelectrons of uniaxially oriented trifluoromethyloxirane: energy dependence and sensitivity to molecular configuration
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 electr...
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| creator | 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 |
| description | 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.
Distant ligands invert photoelectron circular dichroism. |
| doi_str_mv | 10.1039/d1cp02462k |
| format | Article |
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Distant ligands invert photoelectron circular dichroism.</description><subject>Angular distribution</subject><subject>Circular polarization</subject><subject>Dichroism</subject><subject>Hartree approximation</subject><subject>Kinetic energy</subject><subject>Mathematical analysis</subject><subject>Photoelectrons</subject><subject>Recoil ions</subject><subject>Synchrotron radiation</subject><subject>Synchrotrons</subject><subject>Target detection</subject><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNpd0U1PFTEUBuCJkURENu5JmrAxJqP9vjPuzBWVQAILXE96z5zhFjrt2HYM83v4oxYuQcOqTc-T0_a8VfWe0U-MivZzz2CiXGp--6raZ1KLuqWNfP28X-k31duUbiilTDGxX91fbkMO6BByDJ6AjTA7E0lvYRuDTSMJA7kgLNXT_zA9HM_emjtrnFtIiBZ9xp7kaAc3hxhGzNvFhTsbjccvBD3G64X0OKHv0QMS43uS0Ceb7R-bF5IDGUNp_3g9BD_Y6zmabIN_V-0NxiU8fFoPql_fT67WP-vzix-n66_nNQgmc20ag3wzKI56owVHaIDLVas4W20aDqWGQ6-l5BxAAmIZDGrNBWcN07JR4qD6sOs7xfB7xpS70SZA58oPwpw6rlRDm1YpXejxC3oT5ujL64rSnLVCUVHUx52CGFKKOHRTtKOJS8do95BX942tLx_zOiv4aIdjgmf3L0_xF0rSluU</recordid><startdate>20210828</startdate><enddate>20210828</enddate><creator>Nalin, Giammarco</creator><creator>Fehre, Kilian</creator><creator>Trinter, Florian</creator><creator>Novikovskiy, Nikolay M</creator><creator>Anders, Nils</creator><creator>Trabert, Daniel</creator><creator>Grundmann, Sven</creator><creator>Kircher, Max</creator><creator>Khan, Arnab</creator><creator>Tomar, Raghu</creator><creator>Hofmann, Max</creator><creator>Waitz, Markus</creator><creator>Vela-Pérez, Isabel</creator><creator>Kastirke, Gregor</creator><creator>Siebert, Juliane</creator><creator>Tsitsonis, Dimitrios</creator><creator>Fukuzawa, Hironobu</creator><creator>Ueda, Kiyoshi</creator><creator>Williams, Joshua B</creator><creator>Kargin, Denis</creator><creator>Maurer, Martin</creator><creator>Küstner-Wetekam, Catmarna</creator><creator>Marder, Lutz</creator><creator>Viehmann, Johannes</creator><creator>Knie, André</creator><creator>Jahnke, Till</creator><creator>Ilchen, Markus</creator><creator>Dörner, Reinhard</creator><creator>Pietschnig, Rudolf</creator><creator>Demekhin, Philipp V</creator><creator>Schöffler, Markus S</creator><general>Royal Society of Chemistry</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-1671-1232</orcidid><orcidid>https://orcid.org/0000-0002-0891-9180</orcidid><orcidid>https://orcid.org/0000-0002-8283-381X</orcidid><orcidid>https://orcid.org/0000-0002-5781-1862</orcidid><orcidid>https://orcid.org/0000-0001-6512-6921</orcidid><orcidid>https://orcid.org/0000-0003-0551-3633</orcidid><orcidid>https://orcid.org/0000-0001-9797-6648</orcidid></search><sort><creationdate>20210828</creationdate><title>Photoelectron circular dichroism of O 1s-photoelectrons of uniaxially oriented trifluoromethyloxirane: energy dependence and sensitivity to molecular configuration</title><author>Nalin, Giammarco ; 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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.
Distant ligands invert photoelectron circular dichroism.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><doi>10.1039/d1cp02462k</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0002-1671-1232</orcidid><orcidid>https://orcid.org/0000-0002-0891-9180</orcidid><orcidid>https://orcid.org/0000-0002-8283-381X</orcidid><orcidid>https://orcid.org/0000-0002-5781-1862</orcidid><orcidid>https://orcid.org/0000-0001-6512-6921</orcidid><orcidid>https://orcid.org/0000-0003-0551-3633</orcidid><orcidid>https://orcid.org/0000-0001-9797-6648</orcidid><oa>free_for_read</oa></addata></record> |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Angular distribution Circular polarization Dichroism Hartree approximation Kinetic energy Mathematical analysis Photoelectrons Recoil ions Synchrotron radiation Synchrotrons Target detection |
| title | Photoelectron circular dichroism of O 1s-photoelectrons of uniaxially oriented trifluoromethyloxirane: energy dependence and sensitivity to molecular configuration |
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