Evidence map›Paper›PMID 31293761›Full record

ArticleChemical science2019

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

Kasper S Kjær, Tim B Van Driel, Tobias C B Harlang, Kristjan Kunnus, Elisa Biasin, Kathryn Ledbetter, Robert W Hartsock, Marco E Reinhard, Sergey Koroidov, Lin Li and 30 more

Abstract read
In one paragraph

Article in Chemical science, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 54 papers.

0numbers the graph read from it
0cells of the map it votes in
54citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

54 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Synthetic Mechanism of a Fe(II)Inorganic chemistry · 2026
    Article
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  7. Article
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  15. Review
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  17. Controlling the Photophysical Properties of a Series of Isostructural dJournal of the American Chemical Society · 2024
    Article
  18. Multifaceted Deactivation Dynamics of Fe(II)The journal of physical chemistry. A · 2023
    Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

40 authors.

Kasper S KjærPULSE Institute , SLAC National Accelerator Laboratory , Stanford University , Menlo Park , California 94025 , USA . Email: kaspersk@gmail.com ; Email: kgaffney@slac.stanford.edu.ORCID 0000-0002-5580-7851
Tim B Van DrielLCLS , SLAC National Accelerator Laboratory , Menlo Park , California 94025 , USA.
Tobias C B HarlangDepartment of Physics , Technical University of Denmark , DK-2800 , Lyngby , Denmark.
Kristjan KunnusPULSE Institute , SLAC National Accelerator Laboratory , Stanford University , Menlo Park , California 94025 , USA . Email: kaspersk@gmail.com ; Email: kgaffney@slac.stanford.edu.
Elisa BiasinDepartment of Physics , Technical University of Denmark , DK-2800 , Lyngby , Denmark.
Kathryn LedbetterPULSE Institute , SLAC National Accelerator Laboratory , Stanford University , Menlo Park , California 94025 , USA . Email: kaspersk@gmail.com ; Email: kgaffney@slac.stanford.edu.
Robert W HartsockPULSE Institute , SLAC National Accelerator Laboratory , Stanford University , Menlo Park , California 94025 , USA . Email: kaspersk@gmail.com ; Email: kgaffney@slac.stanford.edu.
Marco E ReinhardPULSE Institute , SLAC National Accelerator Laboratory , Stanford University , Menlo Park , California 94025 , USA . Email: kaspersk@gmail.com ; Email: kgaffney@slac.stanford.edu.ORCID 0000-0001-7155-2011
Sergey KoroidovPULSE Institute , SLAC National Accelerator Laboratory , Stanford University , Menlo Park , California 94025 , USA . Email: kaspersk@gmail.com ; Email: kgaffney@slac.stanford.edu.
Lin LiPULSE Institute , SLAC National Accelerator Laboratory , Stanford University , Menlo Park , California 94025 , USA . Email: kaspersk@gmail.com ; Email: kgaffney@slac.stanford.edu.ORCID 0000-0001-6360-2197
Mads G LaursenDepartment of Physics , Technical University of Denmark , DK-2800 , Lyngby , Denmark.
Frederik B HansenDepartment of Physics , Technical University of Denmark , DK-2800 , Lyngby , Denmark.
Peter VesterDepartment of Physics , Technical University of Denmark , DK-2800 , Lyngby , Denmark.
Morten ChristensenDepartment of Physics , Technical University of Denmark , DK-2800 , Lyngby , Denmark.ORCID 0000-0002-6626-7301
Kristoffer HaldrupDepartment of Physics , Technical University of Denmark , DK-2800 , Lyngby , Denmark.
Martin M NielsenDepartment of Physics , Technical University of Denmark , DK-2800 , Lyngby , Denmark.ORCID 0000-0002-8135-434X
Asmus O DohnScience Institute , University of Iceland , 107 Reykjavík , Iceland.ORCID 0000-0002-5172-7168
Mátyás I PápaiScience Institute , University of Iceland , 107 Reykjavík , Iceland.
Klaus B MøllerScience Institute , University of Iceland , 107 Reykjavík , Iceland.ORCID 0000-0002-9797-7437
Pavel ChaberaDepartment of Chemical Physics , Lund University , P.O. Box 124 , 22100 Lund , Sweden.ORCID 0000-0002-0531-5138
Yizhu LiuDepartment of Chemical Physics , Lund University , P.O. Box 124 , 22100 Lund , Sweden.
Hideyuki TatsunoDepartment of Chemical Physics , Lund University , P.O. Box 124 , 22100 Lund , Sweden.
Cornelia TimmDepartment of Chemical Physics , Lund University , P.O. Box 124 , 22100 Lund , Sweden.
Martin JarenmarkDepartment of Geology , Department of Chemistry , Lund University , 223 62 Lund , Sweden.
Jens UhligDepartment of Chemical Physics , Lund University , P.O. Box 124 , 22100 Lund , Sweden.
Villy SundstömDepartment of Chemical Physics , Lund University , P.O. Box 124 , 22100 Lund , Sweden.
Kenneth WärnmarkCentre for Analysis and Synthesis , Department of Chemistry , Lund University , P.O. Box 124 , 22100 Lund , Sweden.
Petter PerssonTheoretical Chemistry Division , Department of Chemistry , Lund University , P.O. Box 124 , 22100 Lund , Sweden.ORCID 0000-0001-7600-3230
Zoltán NémethWigner Research Centre for Physics , Hungarian Academy of Sciences , P.O. Box 49 , H-1525 Budapest , Hungary.ORCID 0000-0002-4399-1890
Dorottya Sárosiné SzemesWigner Research Centre for Physics , Hungarian Academy of Sciences , P.O. Box 49 , H-1525 Budapest , Hungary.ORCID 0000-0003-2084-078X
Éva BajnócziWigner Research Centre for Physics , Hungarian Academy of Sciences , P.O. Box 49 , H-1525 Budapest , Hungary.
György VankóWigner Research Centre for Physics , Hungarian Academy of Sciences , P.O. Box 49 , H-1525 Budapest , Hungary.ORCID 0000-0002-3095-6551
Roberto Alonso-MoriLCLS , SLAC National Accelerator Laboratory , Menlo Park , California 94025 , USA.
James M GlowniaLCLS , SLAC National Accelerator Laboratory , Menlo Park , California 94025 , USA.
Silke NelsonLCLS , SLAC National Accelerator Laboratory , Menlo Park , California 94025 , USA.
Marcin SikorskiLCLS , SLAC National Accelerator Laboratory , Menlo Park , California 94025 , USA.
Dimosthenis SokarasSSRL , SLAC National Accelerator Laboratory , Menlo Park , California 94025 , USA.
Sophie E CantonELI-ALPS , ELI-HU Non-Profit Ltd. , Dugonics ter 13 , Szeged 6720 , Hungary.ORCID 0000-0003-4337-8129
Henrik T LemkeLCLS , SLAC National Accelerator Laboratory , Menlo Park , California 94025 , USA.
Kelly J GaffneyPULSE Institute , SLAC National Accelerator Laboratory , Stanford University , Menlo Park , California 94025 , USA . Email: kaspersk@gmail.com ; Email: kgaffney@slac.stanford.edu.ORCID 0000-0002-0525-6465

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Light-driven molecular reactions are dictated by the excited state potential energy landscape, depending critically on the location of conical intersections and intersystem crossing points between potential surfaces where non-adiabatic effects govern transition probabilities between distinct electronic states. While ultrafast studies have provided significant insight into electronic excited state reaction dynamics, experimental approaches for identifying and characterizing intersections and seams between electronic states remain highly system dependent. Here we show that for 3d transition metal systems simultaneously recorded X-ray diffuse scattering and X-ray emission spectroscopy at sub-70 femtosecond time-resolution provide a solid experimental foundation for determining the mechanistic details of excited state reactions. In modeling the mechanistic information retrieved from such experiments, it becomes possible to identify the dominant trajectory followed during the excited state cascade and to determine the relevant loci of intersections between states. We illustrate our approach by explicitly mapping parts of the potential energy landscape dictating the light driven low-to-high spin-state transition (spin crossover) of [Fe(2,2'-bipyridine)

Identifiers

PMID31293761
PMCPMC6568243

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