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Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy

Journal Article · · Chemical Science
DOI:https://doi.org/10.1039/C8SC04023K· OSTI ID:1512322
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  1. PULSE Institute, SLAC National Accelerator Laboratory, Stanford University, Menlo Park, USA
  2. LCLS, SLAC National Accelerator Laboratory, Menlo Park, USA
  3. Department of Physics, Technical University of Denmark, Lyngby, Denmark, Department of Chemical Physics
  4. Department of Physics, Technical University of Denmark, Lyngby, Denmark
  5. Science Institute, University of Iceland, 107 Reykjavík, Iceland
  6. Science Institute, University of Iceland, 107 Reykjavík, Iceland, Wigner Research Centre for Physics
  7. Department of Chemical Physics, Lund University, 22100 Lund, Sweden
  8. Department of Chemical Physics, Lund University, 22100 Lund, Sweden, Centre for Analysis and Synthesis
  9. Department of Geology, Department of Chemistry, Lund University, 223 62 Lund, Sweden
  10. Centre for Analysis and Synthesis, Department of Chemistry, Lund University, 22100 Lund, Sweden
  11. Theoretical Chemistry Division, Department of Chemistry, Lund University, 22100 Lund, Sweden
  12. Wigner Research Centre for Physics, Hungarian Academy of Sciences, H-1525 Budapest, Hungary
  13. SSRL, SLAC National Accelerator Laboratory, Menlo Park, USA
  14. ELI-ALPS, ELI-HU Non-Profit Ltd., Szeged 6720, Hungary, FS-ATTO
  15. LCLS, SLAC National Accelerator Laboratory, Menlo Park, USA, SwissFEL

Combined X-ray free-electron laser techniques pinpoints loci of intersections between potential energy surfaces of a photo-excited 3d transition-metal centered molecule.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1512322
Alternate ID(s):
OSTI ID: 1546950
Journal Information:
Chemical Science, Journal Name: Chemical Science Journal Issue: 22 Vol. 10; ISSN 2041-6520; ISSN CSHCBM
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

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Effect of Second-Order Spin-Orbit Coupling on the Interaction between Spin States in Spin-Crossover Systems journal December 2017
Deactivation of Excited States in Transition-Metal Complexes: Insight from Computational Chemistry journal November 2018
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Probing the 3d Spin Momentum with X-ray Emission Spectroscopy:  The Case of Molecular-Spin Transitions journal June 2006
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Seaming is believing journal September 2010
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Atomistic characterization of the active-site solvation dynamics of a model photocatalyst journal November 2016
Coherent structural trapping through wave packet dispersion during photoinduced spin state switching journal May 2017
Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses journal March 2015
Ultrafast myoglobin structural dynamics observed with an X-ray free-electron laser journal April 2015
Introducing a standard method for experimental determination of the solvent response in laser pump, X-ray probe time-resolved wide-angle X-ray scattering experiments on systems in solution journal January 2013
Disentangling detector data in XFEL studies of temporally resolved solution state chemistry journal January 2015
Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution journal January 2017
Spin-state dependence of the structural and vibrational properties of solvated iron( ii ) polypyridyl complexes from AIMD simulations: aqueous [Fe(bpy) 3 ]Cl 2 , a case study journal January 2018
Theoretical evidence for the direct 3 MLCT-HS deactivation in the light-induced spin crossover of Fe( ii )–polypyridyl complexes journal January 2018
Tracking the picosecond deactivation dynamics of a photoexcited iron carbene complex by time-resolved X-ray scattering journal January 2018
Structural analysis of ultrafast extended x-ray absorption fine structure with subpicometer spatial resolution: Application to spin crossover complexes journal March 2009
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Ultrafast X-Ray Scattering Measurements of Coherent Structural Dynamics on the Ground-State Potential Energy Surface of a Diplatinum Molecule journal February 2019
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