Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane

Ilchen, M.; Hartmann, G.; Rupprecht, P.; Artemyev, A. N.; Coffee, R. N.; Li, Z.; Ohldag, H.; Ogasawara, H.; Osipov, T.; Ray, D.; Schmidt, Ph.; Wolf, T. J.  A.; Ehresmann, A.; Moeller, S.; Knie, A.; Demekhin, Ph. V.

doi:10.1103/PhysRevA.95.053423

Title: Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane

Journal Article · Tue May 30 00:00:00 EDT 2017 · Physical Review A

DOI:https://doi.org/10.1103/PhysRevA.95.053423· OSTI ID:1369426

Ilchen, M. ^[1]; Hartmann, G. ^[2]; Rupprecht, P. ^[3]; Artemyev, A. N. ^[4]; Coffee, R. N. ^[5]; Li, Z. ^[6]; Ohldag, H. ^[5]; Ogasawara, H. ^[5]; Osipov, T. ^[5]; Ray, D. ^[5]; Schmidt, Ph. ^[4]; Wolf, T. J. A. ^[7]; Ehresmann, A. ^[4]; Moeller, S. ^[5]; Knie, A. ^[4]; Demekhin, Ph. V. ^[8]

SLAC National Accelerator Lab., Menlo Park, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States). Photon Ultrafast Laser Science and Engineering Inst. (PULSE); European X-ray Free-Electron Laser (XFEL), Schenefeld (Germany)
Univ. Kassel (Germany). Inst. for Physics and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
SLAC National Accelerator Lab., Menlo Park, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States). Photon Ultrafast Laser Science and Engineering Inst. (PULSE); Technische Univ. Munchen, Garching (Germany). Dept. Physik
Univ. Kassel (Germany). Inst. for Physics and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science
SLAC National Accelerator Lab., Menlo Park, CA (United States). Photon Ultrafast Laser Science and Engineering Inst. (PULSE)
Univ. Kassel (Germany). Inst. for Physics and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT); Southern Federal Univ., Rostov-on-Don (Russia). Research Inst. of Physics

The angle-resolved inner-shell photoionization of R-trifluoromethyloxirane, C₃H₃F₃O, is studied experimentally and theoretically. Thereby, we investigate the photoelectron circular dichroism (PECD) for nearly symmetric O 1s and F 1s electronic orbitals, which are localized on different molecular sites. The respective dichroic β₁ and angular distribution β₂ parameters are measured at the photoelectron kinetic energies from 1 to 16 eV by using variably polarized synchrotron radiation and velocity map imaging spectroscopy. The present experimental results are in good agreement with the outcome of ab initio electronic structure calculations. We report a sizable chiral asymmetry β₁ of up to about 9% for the K -shell photoionization of oxygen atom. For the individual fluorine atoms, the present calculations predict asymmetries of similar size. However, being averaged over all fluorine atoms, it drops down to about 2%, as also observed in the present experiment. Our study demonstrates a strong emitter and site sensitivity of PECD in the one-photon inner-shell ionization of this chiral molecule.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); German Research Foundation (DFG); Russian Foundation for Basic Research

Grant/Contract Number:: AC02-76SF00515; DE 2366/1-1; 16-03-00771a; LPDS2013-14

OSTI ID:: 1369426

Alternate ID(s):: OSTI ID: 1360863

Journal Information:: Physical Review A, Vol. 95, Issue 5; ISSN 2469-9926

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 21 works

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References (59)

Density functional study on the circular dichroism of photoelectron angular distribution from chiral derivatives of oxirane Stener, M.; Fronzoni, G.; Tommaso, D. Di The Journal of Chemical Physics, Vol. 120, Issue 7 https://doi.org/10.1063/1.1640617	journal	February 2004
Chiral Asymmetry in the Photoionization of Gas-Phase Amino-Acid Alanine at Lyman-α Radiation Wavelength Tia, Maurice; Cunha de Miranda, Barbara; Daly, Steven The Journal of Physical Chemistry Letters, Vol. 4, Issue 16 https://doi.org/10.1021/jz4014129	journal	July 2013
An iterative procedure for the inversion of two-dimensional ion/photoelectron imaging experiments Vrakking, Marc J. J. Review of Scientific Instruments, Vol. 72, Issue 11 https://doi.org/10.1063/1.1406923	journal	November 2001
Valence shell one-photon photoelectron circular dichroism in chiral systems Nahon, Laurent; Garcia, Gustavo A.; Powis, Ivan Journal of Electron Spectroscopy and Related Phenomena, Vol. 204 https://doi.org/10.1016/j.elspec.2015.04.008	journal	October 2015
Valence photoionization dynamics in circular dichroism of chiral free molecules: The methyl-oxirane Stranges, S.; Turchini, S.; Alagia, M. The Journal of Chemical Physics, Vol. 122, Issue 24 https://doi.org/10.1063/1.1940632	journal	June 2005
Photoelectron circular dichroism of the randomly oriented chiral molecules glyceraldehyde and lactic acid Powis, Ivan The Journal of Chemical Physics, Vol. 112, Issue 1 https://doi.org/10.1063/1.480581	journal	January 2000
Circular dichroism in the photoelectron angular distribution from randomly oriented enantiomers of camphor Garcia, Gustavo A.; Nahon, Laurent; Lebech, Mogens The Journal of Chemical Physics, Vol. 119, Issue 17 https://doi.org/10.1063/1.1621379	journal	November 2003
A Valence Photoelectron Imaging Investigation of Chiral Asymmetry in the Photoionization of Fenchone and Camphor Powis, Ivan; Harding, Chris J.; Garcia, Gustavo A. ChemPhysChem, Vol. 9, Issue 3 https://doi.org/10.1002/cphc.200700748	journal	February 2008
Erratum: Interference effects during the Auger decay of the $C^{}$ O $1 s^{- 1} π^{}$ resonance studied by angular distribution of the CO $^{+} (A)$ photoelectrons and polarization analysis of the CO $^{+}$ ( $A$ - $X$ ) fluorescence [Phys. Rev. A 80 , 063425 (2009)] Demekhin, Ph. V.; Petrov, I. D.; Sukhorukov, V. L. Physical Review A, Vol. 81, Issue 6 https://doi.org/10.1103/PhysRevA.81.069902	journal	June 2010
Double photoexcitation processes at the near K-edge region of Ne, Na and Ar Sukhorukov, V. L.; Hopersky, A. N.; Petrov, I. D. Journal de Physique, Vol. 48, Issue 10 https://doi.org/10.1051/jphys:0198700480100167700	journal	January 1987
Wavelength dependent photoelectron circular dichroism of limonene studied by femtosecond multiphoton laser ionization and electron-ion coincidence imaging Rafiee Fanood, Mohammad M.; Janssen, Maurice H. M.; Powis, Ivan The Journal of Chemical Physics, Vol. 145, Issue 12 https://doi.org/10.1063/1.4963229	journal	September 2016
One-dimensional tomography: a comparison of Abel, onion-peeling, and filtered backprojection methods Dasch, Cameron J. Applied Optics, Vol. 31, Issue 8 https://doi.org/10.1364/AO.31.001146	journal	January 1992
Photoelectron circular dichroism in the multiphoton ionization by short laser pulses. I. Propagation of single-active-electron wave packets in chiral pseudo-potentials Artemyev, Anton N.; Müller, Anne D.; Hochstuhl, David The Journal of Chemical Physics, Vol. 142, Issue 24 https://doi.org/10.1063/1.4922690	journal	June 2015
Reconstruction of Abel-transformable images: The Gaussian basis-set expansion Abel transform method Dribinski, Vladimir; Ossadtchi, Alexei; Mandelshtam, Vladimir A. Review of Scientific Instruments, Vol. 73, Issue 7 https://doi.org/10.1063/1.1482156	journal	July 2002
Resonant Circular Dichroism of Chiral Metal-Organic Complex Catone, D.; Stener, M.; Decleva, P. Physical Review Letters, Vol. 108, Issue 8 https://doi.org/10.1103/PhysRevLett.108.083001	journal	February 2012
Polarization control in an X-ray free-electron laser Lutman, Alberto A.; MacArthur, James P.; Ilchen, Markus Nature Photonics, Vol. 10, Issue 7 https://doi.org/10.1038/nphoton.2016.79	journal	May 2016
Incorporating real time velocity map image reconstruction into closed-loop coherent control Rallis, C. E.; Burwitz, T. G.; Andrews, P. R. Review of Scientific Instruments, Vol. 85, Issue 11 https://doi.org/10.1063/1.4899267	journal	November 2014
Next Generation Endstation for Concurrent Measurements of Charged Products and Photons in LCLS FEL Experiments Osipov, T.; Rolles, D.; Bostedt, C. Journal of Physics: Conference Series, Vol. 388, Issue 14 https://doi.org/10.1088/1742-6596/388/14/142025	journal	November 2012
Symmetry-Forbidden Electronic State Interference Observed in Angularly Resolved ${NO}^{+} (A {}^{1}Π)$ Deexcitation Spectra of the $N^{*} O (2 σ^{- 1} 2 π^{2})$ Resonance Demekhin, Ph. V.; Petrov, I. D.; Sukhorukov, V. L. Physical Review Letters, Vol. 104, Issue 24 https://doi.org/10.1103/PhysRevLett.104.243001	journal	June 2010
Dichroism in core-excited and core-ionized methyloxirane Alberti, G.; Turchini, S.; Contini, G. Physica Scripta, Vol. 78, Issue 5 https://doi.org/10.1088/0031-8949/78/05/058120	journal	November 2008
Angle-Resolved Photoelectron Spectroscopy of Randomly Oriented 3-Hydroxytetrahydrofuran Enantiomers Giardini, Anna; Catone, Daniele; Stranges, Stefano ChemPhysChem, Vol. 6, Issue 6 https://doi.org/10.1002/cphc.200400483	journal	June 2005
Large impact of the weak direct photoionization on the angularly resolved CO ⁺ ( A ² Π) de-excitation spectra of the CO*(1σ ⁻¹ 2π) resonance Demekhin, Ph V.; Petrov, I. D.; Tanaka, T. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 43, Issue 6 https://doi.org/10.1088/0953-4075/43/6/065102	journal	March 2010
Intermediate state dependence of the photoelectron circular dichroism of fenchone observed via femtosecond resonance-enhanced multi-photon ionization Kastner, Alexander; Ring, Tom; Krüger, Bastian C. The Journal of Chemical Physics, Vol. 147, Issue 1 https://doi.org/10.1063/1.4982614	journal	July 2017
Hartree-Fock calculation of the differential photoionization cross sections of small Li clusters Galitskiy, S. A.; Artemyev, A. N.; Jänkälä, K. The Journal of Chemical Physics, Vol. 142, Issue 3 https://doi.org/10.1063/1.4905722	journal	January 2015
Time-dependent density-functional theory for molecular photoionization with noniterative algorithm and multicenter B-spline basis set: CS2 and C6H6 case studies Stener, M.; Fronzoni, G.; Decleva, P. The Journal of Chemical Physics, Vol. 122, Issue 23 https://doi.org/10.1063/1.1937367	journal	June 2005
Calculation of Kr photoabsorption spectrum fine structure within the KN ₂₃ ionization threshold region Sukhorukov, V. L.; Hopersky, A. N.; Petrov, I. D. Journal de Physique II, Vol. 1, Issue 5 https://doi.org/10.1051/jp2:1991184	journal	May 1991
Circular dichroism measurements at an x-ray free-electron laser with polarization control Hartmann, G.; Lindahl, A. O.; Knie, A. Review of Scientific Instruments, Vol. 87, Issue 8 https://doi.org/10.1063/1.4961470	journal	August 2016
Single center method: A computational tool for ionization and electronic excitation studies of molecules Demekhin, Ph. V.; Ehresmann, A.; Sukhorukov, V. L. The Journal of Chemical Physics, Vol. 134, Issue 2 https://doi.org/10.1063/1.3526026	journal	January 2011
Circular Dichroism in $K$ -Shell Ionization from Fixed-in-Space CO and $N_{2}$ Molecules Jahnke, T.; Weber, Th.; Landers, A. L. Physical Review Letters, Vol. 88, Issue 7 https://doi.org/10.1103/PhysRevLett.88.073002	journal	February 2002
Angle-resolved study of resonant Auger decay and fluorescence emission processes after core excitations of the terminal and central nitrogen atoms in $N_{2} O$ Knie, A.; Ilchen, M.; Schmidt, Ph. Physical Review A, Vol. 90, Issue 1 https://doi.org/10.1103/PhysRevA.90.013416	journal	July 2014
General atomic and molecular electronic structure system Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A. Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363 https://doi.org/10.1002/jcc.540141112	journal	November 1993
Asymmetry in Photoelectron Emission from Chiral Molecules Induced by Circularly Polarized Light Böwering, N.; Lischke, T.; Schmidtke, B. Physical Review Letters, Vol. 86, Issue 7 https://doi.org/10.1103/PhysRevLett.86.1187	journal	February 2001
Photoionization of epichlorohydrin enantiomers and clusters studied with circularly polarized vacuum ultraviolet radiation Daly, Steven; Powis, Ivan; Garcia, Gustavo A. The Journal of Chemical Physics, Vol. 134, Issue 6 https://doi.org/10.1063/1.3536500	journal	February 2011
Imaging photoelectron circular dichroism of chiral molecules by femtosecond multiphoton coincidence detection Lehmann, C. Stefan; Ram, N. Bhargava; Powis, Ivan The Journal of Chemical Physics, Vol. 139, Issue 23 https://doi.org/10.1063/1.4844295	journal	December 2013
Charged particle velocity map image reconstruction with one-dimensional projections of spherical functions Gerber, Thomas; Liu, Yuzhu; Knopp, Gregor Review of Scientific Instruments, Vol. 84, Issue 3 https://doi.org/10.1063/1.4793404	journal	March 2013
Circular dichroism in photoelectron spectroscopy of free chiral molecules: Experiment and theory on methyl-oxirane Turchini, S.; Zema, N.; Contini, G. Physical Review A, Vol. 70, Issue 1 https://doi.org/10.1103/PhysRevA.70.014502	journal	July 2004
Vibrationally induced inversion of photoelectron forward-backward asymmetry in chiral molecule photoionization by circularly polarized light Garcia, Gustavo A.; Nahon, Laurent; Daly, Steven Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3132	journal	July 2013
Giant Chiral Asymmetry in the C 1 s Core Level Photoemission from Randomly Oriented Fenchone Enantiomers Ulrich, Volker; Barth, Silko; Joshi, Sanjeev The Journal of Physical Chemistry A, Vol. 112, Issue 16 https://doi.org/10.1021/jp709761u	journal	April 2008
Effects of dimerization on the photoelectron angular distribution parameters from chiral camphor enantiomers obtained with circularly polarized vacuum-ultraviolet radiation Nahon, Laurent; Garcia, Gustavo A.; Soldi-Lose, Héloïse Physical Review A, Vol. 82, Issue 3 https://doi.org/10.1103/PhysRevA.82.032514	journal	September 2010
Photoelectron imaging spectrometry: Principle and inversion method Bordas, C.; Paulig, F.; Helm, H. Review of Scientific Instruments, Vol. 67, Issue 6 https://doi.org/10.1063/1.1147044	journal	June 1996
Conformational Effects in Photoelectron Circular Dichroism of Alaninol Turchini, Stefano; Catone, Daniele; Contini, Giorgio ChemPhysChem, Vol. 10, Issue 11 https://doi.org/10.1002/cphc.200800862	journal	August 2009
Theory of spin polarisation phenomena in molecular photoionisation processes Cherepkov, N. A. Journal of Physics B: Atomic and Molecular Physics, Vol. 14, Issue 13 https://doi.org/10.1088/0022-3700/14/13/014	journal	July 1981
Strong interference effects in the angularly resolved Auger decay and fluorescence emission spectra of the core-excited NO molecule Demekhin, Ph V.; Petrov, I. D.; Sukhorukov, V. L. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 43, Issue 16 https://doi.org/10.1088/0953-4075/43/16/165103	journal	August 2010
Dynamics of the C $1 s \to π^{*}$ excitation and decay in ${CO}_{2}$ probed by vibrationally and angularly resolved Auger spectroscopy Antonsson, E.; Patanen, M.; Nicolas, C. Physical Review A, Vol. 92, Issue 4 https://doi.org/10.1103/PhysRevA.92.042506	journal	October 2015
Relaxation Dynamics in Photoexcited Chiral Molecules Studied by Time-Resolved Photoelectron Circular Dichroism: Toward Chiral Femtochemistry Comby, Antoine; Beaulieu, Samuel; Boggio-Pasqua, Martial The Journal of Physical Chemistry Letters, Vol. 7, Issue 22 https://doi.org/10.1021/acs.jpclett.6b02065	journal	October 2016
VUV Photodynamics and Chiral Asymmetry in the Photoionization of Gas Phase Alanine Enantiomers Tia, Maurice; Cunha de Miranda, Barbara; Daly, Steven The Journal of Physical Chemistry A, Vol. 118, Issue 15 https://doi.org/10.1021/jp5016142	journal	April 2014
Determination of chiral asymmetries in the valence photoionization of camphor enantiomers by photoelectron imaging using tunable circularly polarized light Nahon, Laurent; Garcia, Gustavo A.; Harding, Chris J. The Journal of Chemical Physics, Vol. 125, Issue 11 https://doi.org/10.1063/1.2336432	journal	September 2006
Angle-Resolved Auger Spectroscopy as a Sensitive Access to Vibronic Coupling Knie, A.; Patanen, M.; Hans, A. Physical Review Letters, Vol. 116, Issue 19 https://doi.org/10.1103/PhysRevLett.116.193002	journal	May 2016
Circular Dichroism in the Photoelectron Angular Distributions of Camphor and Fenchone from Multiphoton Ionization with Femtosecond Laser Pulses Lux, Christian; Wollenhaupt, Matthias; Bolze, Tom Angewandte Chemie International Edition, Vol. 51, Issue 20 https://doi.org/10.1002/anie.201109035	journal	February 2012
Identifying and Understanding Strong Vibronic Interaction Effects Observed in the Asymmetry of Chiral Molecule Photoelectron Angular Distributions Garcia, Gustavo A.; Dossmann, Héloïse; Nahon, Laurent ChemPhysChem, Vol. 18, Issue 5 https://doi.org/10.1002/cphc.201601250	journal	January 2017
Delocalization of a Vacancy across Two Neon Atoms Bound by the van der Waals Force Sann, H.; Schober, C.; Mhamdi, A. Physical Review Letters, Vol. 117, Issue 26 https://doi.org/10.1103/PhysRevLett.117.263001	journal	December 2016
Interference effects during the Auger decay of the $C^{} O$ $1 s^{- 1} π^{}$ resonance studied by angular distribution of the ${CO}^{+} (A)$ photoelectrons and polarization analysis of the ${CO}^{+} (A − X)$ fluorescence Demekhin, Ph. V.; Petrov, I. D.; Sukhorukov, V. L. Physical Review A, Vol. 80, Issue 6 https://doi.org/10.1103/PhysRevA.80.063425	journal	December 2009
Circular dichroism of molecules in the continuous absorption region Cherepkov, N. A. Chemical Physics Letters, Vol. 87, Issue 4 https://doi.org/10.1016/0009-2614(82)83600-2	journal	April 1982
K-absorption spectra of atomic Ca, Cr, Mn and Cu Arp, U.; Lagutin, B. M.; Materlik, G. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 26, Issue 23 https://doi.org/10.1088/0953-4075/26/23/011	journal	December 1993
Ultrafast soft X-ray emission spectroscopy of surface adsorbates using an X-ray free electron laser Katayama, T.; Anniyev, T.; Beye, M. Journal of Electron Spectroscopy and Related Phenomena, Vol. 187 https://doi.org/10.1016/j.elspec.2013.03.006	journal	April 2013
Photoelectron circular dichroism in core level ionization of randomly oriented pure enantiomers of the chiral molecule camphor Hergenhahn, Uwe; Rennie, Emma E.; Kugeler, Oliver The Journal of Chemical Physics, Vol. 120, Issue 10 https://doi.org/10.1063/1.1651474	journal	March 2004
Circular dichroism measurements at an x-ray free-electron laser with polarization control Hartmann, G.; Lindahl, A. O.; Knie, A. Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2017-00427	text	January 2016
Asymmetry in Photoelectron Emission from Chiral Molecules Induced by Circularly Polarized Light Böwering, N.; Heinzmann, U.; Khalil, T. The American Physical Society https://doi.org/10.17877/de290r-12469	text	January 2001
Intermediate state dependence of the photoelectron circular dichroism of fenchone observed via femtosecond resonance-enhanced multi-photon ionization Kastner, Alexander; Ring, Tom; Krüger, Bastian C. arXiv https://doi.org/10.48550/arxiv.1702.06023	preprint	January 2017

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