Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays

Grigory Smolentsev (), Christopher J. Milne, Alexander Guda, Kristoffer Haldrup, Jakub Szlachetko, Nicolo Azzaroli, Claudio Cirelli, Gregor Knopp, Rok Bohinc, Samuel Menzi, Georgios Pamfilidis, Dardan Gashi, Martin Beck, Aldo Mozzanica, Daniel James, Camila Bacellar, Giulia F. Mancini, Andrei Tereshchenko, Victor Shapovalov, Wojciech M. Kwiatek, Joanna Czapla-Masztafiak, Andrea Cannizzo, Michela Gazzetto, Mathias Sander, Matteo Levantino, Victoria Kabanova, Elena Rychagova, Sergey Ketkov, Marian Olaru, Jens Beckmann and Matthias Vogt ()
Additional contact information
Grigory Smolentsev: Paul Scherrer Institute
Christopher J. Milne: Paul Scherrer Institute
Alexander Guda: Southern Federal University
Kristoffer Haldrup: Technical University of Denmark
Jakub Szlachetko: Polish Academy of Sciences
Nicolo Azzaroli: Paul Scherrer Institute
Claudio Cirelli: Paul Scherrer Institute
Gregor Knopp: Paul Scherrer Institute
Rok Bohinc: Paul Scherrer Institute
Samuel Menzi: Paul Scherrer Institute
Georgios Pamfilidis: Paul Scherrer Institute
Dardan Gashi: Paul Scherrer Institute
Martin Beck: Paul Scherrer Institute
Aldo Mozzanica: Paul Scherrer Institute
Daniel James: Paul Scherrer Institute
Camila Bacellar: Paul Scherrer Institute
Giulia F. Mancini: Paul Scherrer Institute
Andrei Tereshchenko: Southern Federal University
Victor Shapovalov: Southern Federal University
Wojciech M. Kwiatek: Polish Academy of Sciences
Joanna Czapla-Masztafiak: Polish Academy of Sciences
Andrea Cannizzo: University of Bern
Michela Gazzetto: University of Bern
Mathias Sander: ESRF, The European Synchrotron
Matteo Levantino: ESRF, The European Synchrotron
Victoria Kabanova: ESRF, The European Synchrotron
Elena Rychagova: G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Tropinina, 49
Sergey Ketkov: G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Tropinina, 49
Marian Olaru: University of Bremen
Jens Beckmann: University of Bremen
Matthias Vogt: University of Bremen

Nature Communications, 2020, vol. 11, issue 1, 1-9

Abstract: Abstract OLED technology beyond small or expensive devices requires light-emitters, luminophores, based on earth-abundant elements. Understanding and experimental verification of charge transfer in luminophores are needed for this development. An organometallic multicore Cu complex comprising Cu–C and Cu–P bonds represents an underexplored type of luminophore. To investigate the charge transfer and structural rearrangements in this material, we apply complementary pump-probe X-ray techniques: absorption, emission, and scattering including pump-probe measurements at the X-ray free-electron laser SwissFEL. We find that the excitation leads to charge movement from C- and P- coordinated Cu sites and from the phosphorus atoms to phenyl rings; the Cu core slightly rearranges with 0.05 Å increase of the shortest Cu–Cu distance. The use of a Cu cluster bonded to the ligands through C and P atoms is an efficient way to keep structural rigidity of luminophores. Obtained data can be used to verify computational methods for the development of luminophores.

Date: 2020
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DOI: 10.1038/s41467-020-15998-z

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