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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.

SUBMITTER: Eckert S

PROVIDER: S-EPMC5485001 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature

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Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering.

Eckert Sebastian S Norell Jesper J Miedema Piter S PS Beye Martin M Fondell Mattis M Quevedo Wilson W Kennedy Brian B Hantschmann Markus M Pietzsch Annette A Van Kuiken Benjamin E BE Ross Matthew M Minitti Michael P MP Moeller Stefan P SP Schlotter William F WF Khalil Munira M Odelius Michael M Föhlisch Alexander A

Angewandte Chemie (International ed. in English) 20170404 22

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 ...[more]

PMID: 28374523

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