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Selective gating to vibrational modes through resonant X-ray scattering

Author

Listed:
  • Rafael C. Couto

    (Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology
    Instituto de Química, Universidade Federal Goiás)

  • Vinícius V. Cruz

    (Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology)

  • Emelie Ertan

    (Stockholm University, AlbaNova University Center)

  • Sebastian Eckert

    (Institut für Physik and Astronomie, Universität Potsdam
    Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15)

  • Mattis Fondell

    (Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15)

  • Marcus Dantz

    (Paul Scherrer Institut)

  • Brian Kennedy

    (Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15)

  • Thorsten Schmitt

    (Paul Scherrer Institut)

  • Annette Pietzsch

    (Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15)

  • Freddy F. Guimarães

    (Instituto de Química, Universidade Federal Goiás)

  • Hans Ågren

    (Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology)

  • Faris Gel’mukhanov

    (Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology
    Laboratory for Nonlinear Optics and Spectroscopy, Siberian Federal University)

  • Michael Odelius

    (Stockholm University, AlbaNova University Center)

  • Victor Kimberg

    (Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology
    Laboratory for Nonlinear Optics and Spectroscopy, Siberian Federal University)

  • Alexander Föhlisch

    (Institut für Physik and Astronomie, Universität Potsdam
    Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15)

Abstract

The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations.

Suggested Citation

  • Rafael C. Couto & Vinícius V. Cruz & Emelie Ertan & Sebastian Eckert & Mattis Fondell & Marcus Dantz & Brian Kennedy & Thorsten Schmitt & Annette Pietzsch & Freddy F. Guimarães & Hans Ågren & Faris Ge, 2017. "Selective gating to vibrational modes through resonant X-ray scattering," Nature Communications, Nature, vol. 8(1), pages 1-7, April.
    • Handle: RePEc:nat:natcom:v:8:y:2017:i:1:d:10.1038_ncomms14165
    DOI: 10.1038/ncomms14165
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