title: Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering.
abstract: The femtosecond excited-state dynamics following resonant photoexcitation enable the selective deformation of N-H and N-C chemical bonds in 2-thiopyridone in aqueous solution with optical or X-ray pulses. In combination with multiconfigurational quantum-chemical calculations, the orbital-specific electronic structure and its ultrafast dynamics accessed with resonant inelastic X-ray scattering at the N 1s level using synchrotron radiation and the soft X-ray free-electron laser LCLS provide direct evidence for this controlled photoinduced molecular deformation and its ultrashort timescale.
authors.affiliation: Institut für Physik und Astronomie, Universität Potsdam, Karl-Liebknecht-Strasse 24/25, 14476, Potsdam, Germany.|Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Sebastian
authors.identifier: 0000-0002-1310-0735
authors.initials: S
authors.lastname: Eckert
authors.affiliation: Department of Physics, Stockholm University, AlbaNova University Center, 10691, Stockholm, Sweden.
authors.forename: Jesper
authors.initials: J
authors.lastname: Norell
authors.affiliation: Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Piter S
authors.identifier: 0000-0003-1959-3216
authors.initials: PS
authors.lastname: Miedema
authors.affiliation: Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Martin
authors.identifier: 0000-0002-3924-2993
authors.initials: M
authors.lastname: Beye
authors.affiliation: Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Mattis
authors.initials: M
authors.lastname: Fondell
authors.affiliation: Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Wilson
authors.initials: W
authors.lastname: Quevedo
authors.affiliation: Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Brian
authors.initials: B
authors.lastname: Kennedy
authors.affiliation: Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Markus
authors.initials: M
authors.lastname: Hantschmann
authors.affiliation: Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Annette
authors.identifier: 0000-0001-6964-7425
authors.initials: A
authors.lastname: Pietzsch
authors.affiliation: Department of Chemistry, University of Washington, Seattle, WA, 98195, USA.
authors.forename: Benjamin E
authors.identifier: 0000-0002-3650-7765
authors.initials: BE
authors.lastname: Van Kuiken
authors.affiliation: Department of Chemistry, University of Washington, Seattle, WA, 98195, USA.
authors.forename: Matthew
authors.identifier: 0000-0002-0434-544X
authors.initials: M
authors.lastname: Ross
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA, 94025, USA.
authors.forename: Michael P
authors.initials: MP
authors.lastname: Minitti
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA, 94025, USA.
authors.forename: Stefan P
authors.initials: SP
authors.lastname: Moeller
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA, 94025, USA.
authors.forename: William F
authors.initials: WF
authors.lastname: Schlotter
authors.affiliation: Department of Chemistry, University of Washington, Seattle, WA, 98195, USA.
authors.forename: Munira
authors.identifier: 0000-0002-6508-4124
authors.initials: M
authors.lastname: Khalil
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: Institut für Physik und Astronomie, Universität Potsdam, Karl-Liebknecht-Strasse 24/25, 14476, Potsdam, Germany.|Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Strasse 15, 12489, Berlin, Germany.
authors.forename: Alexander
authors.identifier: 0000-0003-4126-8233
authors.initials: A
authors.lastname: Föhlisch
keywords: RIXS (resonant inelastic X-ray scattering); nitrogen; photochemistry; protonation; selective bond cleavage