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Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering

Kunnus, Kristjan (author)
Stanford Univ, PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Vacher, Morgane (author)
Uppsala University,Uppsala universitet,Teoretisk kemi
Harlang, Tobias C.B. (author)
Lund University,Lunds universitet,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Technical University of Denmark
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Kjaer, Kasper S. (author)
Stanford Univ, PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA;Lund Univ, Dept Chem Phys, POB 12, S-422100 Lund, Sweden;Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark
Haldrup, Kristoffer (author)
Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark,Technical University of Denmark
Biasin, Elisa (author)
Stanford Univ, PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA;Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark,Stanford Linear Accelerator Center (SLAC),Technical University of Denmark
van Driel, Tim B. (author)
SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Papai, Matyas (author)
Tech Univ Denmark, Dept Chem, Kemitorvet 207, DK-2800 Lyngby, Denmark,Technical University of Denmark
Chabera, Pavel (author)
Lund University,Lunds universitet,NanoLund: Centre for Nanoscience,Annan verksamhet, LTH,Lunds Tekniska Högskola,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Other operations, LTH,Faculty of Engineering, LTH,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
Liu, Yizhu (author)
Lund University,Lunds universitet,Centrum för analys och syntes,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Centre for Analysis and Synthesis,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH,Chemical Physics,Physical and theoretical chemistry,Faculty of Engineering, LTH
Tatsuno, Hideyuki (author)
Lund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
Timm, Cornelia (author)
Lund Univ, Dept Chem Phys, POB 12, S-422100 Lund, Sweden,Lund University
Källman, Erik, PhD (author)
Uppsala University,Uppsala universitet,Teoretisk kemi
Delcey, Mickaël (author)
Uppsala University,Uppsala universitet,Teoretisk kemi
Hartsock, Robert W. (author)
Stanford Univ, PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Reinhard, Marco E. (author)
Stanford Univ, PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Koroidov, Sergey (author)
Stanford Univ, PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Laursen, Mads G. (author)
Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark,Technical University of Denmark
Hansen, Frederik B. (author)
Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark,Technical University of Denmark
Persson, Petter (author)
Lund University,Lunds universitet,NanoLund: Centre for Nanoscience,Annan verksamhet, LTH,Lunds Tekniska Högskola,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Other operations, LTH,Faculty of Engineering, LTH,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
Christensen, Morten (author)
Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark,Technical University of Denmark
Sandberg, Lise (author)
Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark;Univ Copenhagen, Niels Bohr Inst, Blegdamsvej 17, DK-2100 Copenhagen, Denmark,Technical University of Denmark,Niels Bohr Institute
Nemeth, Zoltan (author)
Hungarian Acad Sci, Wigner Res Ctr Phys, POB 49, H-1525 Budapest, Hungary,Wigner Research Centre for Physics, Hungarian Academy of Sciences
Szemes, Dorottya Sarosine (author)
Hungarian Acad Sci, Wigner Res Ctr Phys, POB 49, H-1525 Budapest, Hungary,Wigner Research Centre for Physics, Hungarian Academy of Sciences
Bajnoczi, Eva (author)
Hungarian Acad Sci, Wigner Res Ctr Phys, POB 49, H-1525 Budapest, Hungary,Wigner Research Centre for Physics, Hungarian Academy of Sciences
Alonso-Mori, Roberto (author)
SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Glownia, James M. (author)
SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Nelson, Silke (author)
SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Sikorski, Marcin (author)
SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Sokaras, Dimosthenis (author)
SLAC Natl Accelerator Lab, SSRL, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Lemke, Henrik T. (author)
SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Canton, Sophie E. (author)
ELI HU Nonprofit Ltd, ELI ALPS, H-6720 Szeged, Hungary;DESY, Notkestr 85, D-22607 Hamburg, Germany,German Electron Synchrotron (DESY),ELI-HU Non-profit Ltd
Moller, Klaus B. (author)
Tech Univ Denmark, Dept Chem, Kemitorvet 207, DK-2800 Lyngby, Denmark,Technical University of Denmark
Nielsen, Martin M. (author)
Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark,Technical University of Denmark
Vank, Gyorgy (author)
Hungarian Acad Sci, Wigner Res Ctr Phys, POB 49, H-1525 Budapest, Hungary,Wigner Research Centre for Physics, Hungarian Academy of Sciences
Wärnmark, Kenneth (author)
Lund University,Lunds universitet,NanoLund: Centre for Nanoscience,Annan verksamhet, LTH,Lunds Tekniska Högskola,Centrum för analys och syntes,Kemiska institutionen,Institutioner vid LTH,Other operations, LTH,Faculty of Engineering, LTH,Centre for Analysis and Synthesis,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
Sundström, Villy (author)
Lund University,Lunds universitet,NanoLund: Centre for Nanoscience,Annan verksamhet, LTH,Lunds Tekniska Högskola,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Other operations, LTH,Faculty of Engineering, LTH,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
Persson, Petter (author)
Lund Univ, Theoret Chem Div, POB 12422100, Lund, Sweden
Lundberg, Marcus, 1974- (author)
Uppsala University,Uppsala universitet,Teoretisk kemi
Uhlig, Jens (author)
Lund University,Lunds universitet,NanoLund: Centre for Nanoscience,Annan verksamhet, LTH,Lunds Tekniska Högskola,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Other operations, LTH,Faculty of Engineering, LTH,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
Gaffney, Kelly J. (author)
Stanford Univ, PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA,Stanford Linear Accelerator Center (SLAC)
Kjær, Kasper S. (author)
Lund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH,Stanford Linear Accelerator Center (SLAC),Technical University of Denmark
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 (creator_code:org_t)
2020-01-31
2020
English.
In: Nature Communications. - : Springer Nature. - 2041-1723. ; 11:1
Related links:
https://doi.org/10.1...
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https://kth.diva-por... (primary) (Raw object)
https://www.nature.c...
https://uu.diva-port... (primary) (Raw object)
http://dx.doi.org/10... (free)
https://urn.kb.se/re...
https://doi.org/10.1...
https://urn.kb.se/re...
https://lup.lub.lu.s...
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  • Journal article (peer-reviewed)
Abstract Subject headings
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  • The non-equilibrium dynamics of electrons and nuclei govern the function of photoactive materials. Disentangling these dynamics remains a critical goal for understanding photoactive materials. Here we investigate the photoinduced dynamics of the [Fe(bmip)2]2+ photosensitizer, where bmip = 2,6-bis(3-methyl-imidazole-1-ylidine)-pyridine, with simultaneous femtosecond-resolution Fe Kα and Kβ X-ray emission spectroscopy (XES) and X-ray solution scattering (XSS). This measurement shows temporal oscillations in the XES and XSS difference signals with the same 278 fs period oscillation. These oscillations originate from an Fe-ligand stretching vibrational wavepacket on a triplet metal-centered (3MC) excited state surface. This 3MC state is populated with a 110 fs time constant by 40% of the excited molecules while the rest relax to a 3MLCT excited state. The sensitivity of the Kα XES to molecular structure results from a 0.7% average Fe-ligand bond length shift between the 1 s and 2p core-ionized states surfaces.

Subject headings

NATURVETENSKAP  -- Kemi -- Fysikalisk kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Physical Chemistry (hsv//eng)
NATURVETENSKAP  -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)

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