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Tracking structural...
Tracking structural solvent reorganization and recombination dynamics following e-photoabstraction from aqueous I-with femtosecond x-ray spectroscopy and scattering
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- Vester, Peter (författare)
- Technical University of Denmark
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- Kubicek, Katharina (författare)
- European XFEL GmbH,University of Hamburg
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- Alonso-Mori, Roberto (författare)
- European XFEL GmbH
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- Assefa, Tadesse A. (författare)
- European XFEL GmbH
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- Biasin, Elisa (författare)
- Stanford Linear Accelerator Center (SLAC),Pacific Northwest National Laboratory,Technical University of Denmark
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- Christensen, Morten (författare)
- Technical University of Denmark
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- Dohn, Asmus O. (författare)
- Technical University of Denmark
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- Van Driel, Tim B. (författare)
- Technical University of Denmark
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- Galler, Andreas (författare)
- European XFEL GmbH
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- Gawelda, Wojciech (författare)
- European XFEL GmbH,Autonomous University of Madrid,IMDEA Nanociencia
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- Harlang, Tobias C.B. (författare)
- 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,Technical University of Denmark
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- Henriksen, Niels E. (författare)
- Technical University of Denmark
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- Kjær, Kasper S. (författare)
- Technical University of Denmark
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- Kuhlman, Thomas S. (författare)
- Technical University of Denmark
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- Németh, Zoltán (författare)
- Wigner Research Centre for Physics, Hungarian Academy of Sciences
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- Nurekeyev, Zhangatay (författare)
- University of Hamburg,European XFEL GmbH
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- Pápai, Mátyás (författare)
- Technical University of Denmark,Wigner Research Centre for Physics, Hungarian Academy of Sciences
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- Rittman, Jochen (författare)
- Swiss Federal Institute of Technology
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- Vankó, György (författare)
- Wigner Research Centre for Physics, Hungarian Academy of Sciences
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- Yavas, Hasan (författare)
- German Electron Synchrotron (DESY),Stanford Linear Accelerator Center (SLAC)
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- Zederkof, Diana B. (författare)
- Technical University of Denmark,European XFEL GmbH
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- Bergmann, Uwe (författare)
- Stanford Linear Accelerator Center (SLAC)
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- Nielsen, Martin M. (författare)
- Technical University of Denmark
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- Møller, Klaus B. (författare)
- Technical University of Denmark
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- Haldrup, Kristoffer (författare)
- Technical University of Denmark
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- Bressler, Christian (författare)
- European XFEL GmbH,University of Hamburg
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(creator_code:org_t)
- AIP Publishing, 2022
- 2022
- Engelska.
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 157:22
- Relaterad länk:
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http://dx.doi.org/10...
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https://lup.lub.lu.s...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We present a sub-picosecond resolved investigation of the structural solvent reorganization and geminate recombination dynamics following 400 nm two-photon excitation and photodetachment of a valence p electron from the aqueous atomic solute, I-(aq). The measurements utilized time-resolved X-ray Absorption Near Edge Structure (TR-XANES) spectroscopy and X-ray Solution Scattering (TR-XSS) at the Linac Coherent Light Source x-ray free electron laser in a laser pump/x-ray probe experiment. The XANES measurements around the L1-edge of the generated nascent iodine atoms (I0) yield an average electron ejection distance from the iodine parent of 7.4 ± 1.5 Å with an excitation yield of about 1/3 of the 0.1M NaI aqueous solution. The kinetic traces of the XANES measurement are in agreement with a purely diffusion-driven geminate iodine-electron recombination model without the need for a long-lived (I0:e-) contact pair. Nonequilibrium classical molecular dynamics simulations indicate a delayed response of the caging H2O solvent shell and this is supported by the structural analysis of the XSS data: We identify a two-step process exhibiting a 0.1 ps delayed solvent shell reorganization time within the tight H-bond network and a 0.3 ps time constant for the mean iodine-oxygen distance changes. The results indicate that most of the reorganization can be explained classically by a transition from a hydrophilic cavity with a well-ordered first solvation shell (hydrogens pointing toward I-) to an expanded cavity around I0 with a more random orientation of the H2O molecules in a broadened first solvation shell.
Ämnesord
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
Publikations- och innehållstyp
- art (ämneskategori)
- ref (ämneskategori)
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Vester, Peter
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Kubicek, Kathari ...
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Alonso-Mori, Rob ...
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Assefa, Tadesse ...
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Biasin, Elisa
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Christensen, Mor ...
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visa fler...
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Dohn, Asmus O.
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Van Driel, Tim B ...
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Galler, Andreas
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Gawelda, Wojciec ...
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Harlang, Tobias ...
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Henriksen, Niels ...
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Kjær, Kasper S.
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Kuhlman, Thomas ...
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Németh, Zoltán
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Nurekeyev, Zhang ...
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Pápai, Mátyás
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Rittman, Jochen
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Vankó, György
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Yavas, Hasan
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Zederkof, Diana ...
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Bergmann, Uwe
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Nielsen, Martin ...
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Møller, Klaus B.
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Haldrup, Kristof ...
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Bressler, Christ ...
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