Angewandte Chemie - International Edition
Angewandte Chemie - International Edition
4 years ago

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

Ultrafast Independent N−H and N−C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering
Wilson Quevedo, Michael P. Minitti, Matthew Ross, Piter S. Miedema, Markus Hantschmann, Alexander Föhlisch, Annette Pietzsch, Benjamin E. Van Kuiken, Mattis Fondell, Stefan P. Moeller, William F. Schlotter, Sebastian Eckert, Jesper Norell, Brian Kennedy, Martin Beye, Munira Khalil, Michael Odelius
Electronic and structural changes induced by photo-excitation of 2-thiopyridone (2-TP) were investigated with inelastic X-ray scattering (RIXS). S. Eckert, J. Norell et al. describe in their Communication (http://doi.org/10.1002/anie.201700239) that an N site deprotonation RIXS signature of 2-TP, established in synchrotron measurements, was identified on a femtosecond timescale using the free-electron-laser LCLS. Quantum chemical simulations ascribe the signature to N lone-pair orbital formation and confirm that X-ray induced dynamics are decoupled from the optically induced deprotonation.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/anie.201704050

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