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

Abstract

The angle-resolved inner-shell photoionization of R-trifluoromethyloxirane, C 3H 3F 3O, 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 β 1 and angular distribution β 2 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 β 1 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.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [5];  [5];  [5];  [5];  [4];  [7];  [4];  [5];  [4];  [8]
  1. 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)
  2. Univ. Kassel (Germany). Inst. for Physics and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  3. 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
  4. Univ. Kassel (Germany). Inst. for Physics and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT)
  5. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  6. SLAC National Accelerator Lab., Menlo Park, CA (United States); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science
  7. SLAC National Accelerator Lab., Menlo Park, CA (United States). Photon Ultrafast Laser Science and Engineering Inst. (PULSE)
  8. 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
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); German Research Foundation (DFG); Russian Foundation for Basic Research
OSTI Identifier:
1369426
Alternate Identifier(s):
OSTI ID: 1360863
Grant/Contract Number:  
AC02-76SF00515; DE 2366/1-1; 16-03-00771a; LPDS2013-14
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review A
Additional Journal Information:
Journal Volume: 95; Journal Issue: 5; Journal ID: ISSN 2469-9926
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

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., and Demekhin, Ph. V. Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane. United States: N. p., 2017. Web. doi:10.1103/PhysRevA.95.053423.
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. Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane. United States. doi:10.1103/PhysRevA.95.053423.
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., and Demekhin, Ph. V. Tue . "Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane". United States. doi:10.1103/PhysRevA.95.053423. https://www.osti.gov/servlets/purl/1369426.
@article{osti_1369426,
title = {Emitter-site-selective photoelectron circular dichroism of trifluoromethyloxirane},
author = {Ilchen, M. and Hartmann, G. and Rupprecht, P. and Artemyev, A. N. and Coffee, R. N. and Li, Z. and Ohldag, H. and Ogasawara, H. and Osipov, T. and Ray, D. and Schmidt, Ph. and Wolf, T. J. A. and Ehresmann, A. and Moeller, S. and Knie, A. and Demekhin, Ph. V.},
abstractNote = {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.},
doi = {10.1103/PhysRevA.95.053423},
journal = {Physical Review A},
number = 5,
volume = 95,
place = {United States},
year = {Tue May 30 00:00:00 EDT 2017},
month = {Tue May 30 00:00:00 EDT 2017}
}

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Works referenced in this record:

General atomic and molecular electronic structure system
journal, November 1993

  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
  • Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363
  • DOI: 10.1002/jcc.540141112