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

Here, 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:
ORCiD logo [1] ;  [2] ; ORCiD logo [3] ; ORCiD logo [3] ;  [3] ;  [3] ;  [3] ;  [3] ; ORCiD logo [3] ; ORCiD logo [4] ; ORCiD logo [4] ;  [5] ;  [5] ;  [5] ; ORCiD logo [4] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Univ. Potsdam, Potsdam (Germany); Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany)
  2. Stockholm Univ., Stockholm (Sweden)
  3. Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany)
  4. Univ. of Washington, Seattle, WA (United States)
  5. SLAC National Accelerator Lab., Menlo Park, CA (United States)
Publication Date:
Grant/Contract Number:
669531; CTS 14:355; 2015-03956; SC0002190; AC02-76SF00515; Helmholtz Virtual Institute VI 419
Type:
Published Article
Journal Name:
Angewandte Chemie (International Edition)
Additional Journal Information:
Journal Name: Angewandte Chemie (International Edition); Journal Volume: 56; Journal Issue: 22; Journal ID: ISSN 1433-7851
Publisher:
Wiley
Research Org:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY; nitrogen; photochemistry; protonation; RIXS (resonant inelastic X-ray scattering); selective bond cleavage
OSTI Identifier:
1352452
Alternate Identifier(s):
OSTI ID: 1352454; OSTI ID: 1368690

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, and Föhlisch, Alexander. Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering. United States: N. p., Web. doi:10.1002/anie.201700239.
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. Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering. United States. doi:10.1002/anie.201700239.
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, and Föhlisch, Alexander. 2017. "Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering". United States. doi:10.1002/anie.201700239.
@article{osti_1352452,
title = {Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering},
author = {Eckert, Sebastian and Norell, Jesper and Miedema, Piter S. and Beye, Martin and Fondell, Mattis and Quevedo, Wilson and Kennedy, Brian and Hantschmann, Markus and Pietzsch, Annette and Van Kuiken, Benjamin E. and Ross, Matthew and Minitti, Michael P. and Moeller, Stefan P. and Schlotter, William F. and Khalil, Munira and Odelius, Michael and Föhlisch, Alexander},
abstractNote = {Here, 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.},
doi = {10.1002/anie.201700239},
journal = {Angewandte Chemie (International Edition)},
number = 22,
volume = 56,
place = {United States},
year = {2017},
month = {4}
}