Selective gating to vibrational modes through resonant X-ray scattering

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 Gel’mukhanov (), Michael Odelius (), Victor Kimberg and Alexander Föhlisch ()
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Rafael C. Couto: Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology
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
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
Michael Odelius: Stockholm University, AlbaNova University Center
Victor Kimberg: Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology
Alexander Föhlisch: Institut für Physik and Astronomie, Universität Potsdam

Nature Communications, 2017, vol. 8, issue 1, 1-7

Abstract: 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.

Date: 2017
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DOI: 10.1038/ncomms14165

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