title: Selective gating to vibrational modes through resonant X-ray scattering.
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.
authors.affiliation: Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden.|Instituto de Química, Universidade Federal Goiás, Campus Samambaia, CP 131, Goiânia, Goiás 74001-970, Brazil.
authors.forename: Rafael C
authors.identifier: 0000-0003-4020-0923
authors.initials: RC
authors.lastname: Couto
authors.affiliation: Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden.
authors.forename: Vinícius V
authors.initials: VV
authors.lastname: Cruz
authors.affiliation: Department of Physics, Stockholm University, AlbaNova University Center, 10691 Stockholm, Sweden.
authors.forename: Emelie
authors.initials: E
authors.lastname: Ertan
authors.affiliation: Institut für Physik and Astronomie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, 14476 Potsdam, Germany.|Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15, 12489 Berlin, Germany.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Eckert
authors.affiliation: Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15, 12489 Berlin, Germany.
authors.forename: Mattis
authors.initials: M
authors.lastname: Fondell
authors.affiliation: Research Department Synchrotron Radiation and Nanotechnology, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland.
authors.forename: Marcus
authors.initials: M
authors.lastname: Dantz
authors.affiliation: Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15, 12489 Berlin, Germany.
authors.forename: Brian
authors.initials: B
authors.lastname: Kennedy
authors.affiliation: Research Department Synchrotron Radiation and Nanotechnology, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland.
authors.forename: Thorsten
authors.initials: T
authors.lastname: Schmitt
authors.affiliation: Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15, 12489 Berlin, Germany.
authors.forename: Annette
authors.initials: A
authors.lastname: Pietzsch
authors.affiliation: Instituto de Química, Universidade Federal Goiás, Campus Samambaia, CP 131, Goiânia, Goiás 74001-970, Brazil.
authors.forename: Freddy F
authors.initials: FF
authors.lastname: Guimarães
authors.affiliation: Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden.
authors.forename: Hans
authors.initials: H
authors.lastname: Ågren
authors.affiliation: Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden.|Laboratory for Nonlinear Optics and Spectroscopy, Siberian Federal University, 660041 Krasnoyarsk, Russia.
authors.forename: Faris
authors.initials: F
authors.lastname: Gel'mukhanov
authors.affiliation: Department of Physics, Stockholm University, AlbaNova University Center, 10691 Stockholm, Sweden.
authors.forename: Michael
authors.identifier: 0000-0002-7023-2486
authors.initials: M
authors.lastname: Odelius
authors.affiliation: Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden.|Laboratory for Nonlinear Optics and Spectroscopy, Siberian Federal University, 660041 Krasnoyarsk, Russia.
authors.forename: Victor
authors.identifier: 0000-0003-1269-8760
authors.initials: V
authors.lastname: Kimberg
authors.affiliation: Institut für Physik and Astronomie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, 14476 Potsdam, Germany.|Institute for Methods and Instrumentation in Synchrotron Radiation Research G-ISRR, Helmholtz-Zentrum Berlin für Materialien and Energie Albert-Einstein-Strasse 15, 12489 Berlin, Germany.
authors.forename: Alexander
authors.initials: A
authors.lastname: Föhlisch