Ultrafast Independent N−H and N−C Bond Deformation Investigated with Resonant Inelastic X‐Ray Scattering

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 el...

Descripción completa

Detalles Bibliográficos
Autores principales: Eckert, Sebastian, Norell, Jesper, Miedema, Piter S., Beye, Martin, Fondell, Mattis, Quevedo, Wilson, Kennedy, Brian, Hantschmann, Markus, Pietzsch, Annette, Van Kuiken, Benjamin E., Ross, Matthew, Minitti, Michael P., Moeller, Stefan P., Schlotter, William F., Khalil, Munira, Odelius, Michael, Föhlisch, Alexander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2017
Materias:
Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5485001/
https://www.ncbi.nlm.nih.gov/pubmed/28374523
http://dx.doi.org/10.1002/anie.201700239
Descripción
Sumario: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.

Ejemplares similares