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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