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Title: Exploring the Light-induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses Across the Electromagnetic Spectrum

Abstract

Oligonuclear complexes of d4-d7 transition metal ion centers that undergo spin-switching have long been developed for their practical role in molecular electronics. Recently, they also have appeared as promising photochemical reactants demonstrating improved stability. However, the lack of knowledge about their photophysical properties in the solution phase compared to their mononuclear congeners is currently hampering their inclusion into advanced light-driven reactions. In the present study, the ultrafast photoinduced dynamics in a solvated [2x2] iron(II) metallogrid complex are characterized by combining transient optical, infrared absorption and X-ray emission spectroscopic measurements on the femtosecond timescale. The analysis is supported by DFT calculations. The photocycle can be described in terms of intra-site transitions, where the FeII in the low-spin (LS) state are independently photoexcited. The Franck-Condon state decays via the formation of a vibrationally-hot high-spin (HS) state that displays coherent behavior within a few picoseconds and thermalizes within tens of picosecond to yield a metastable HS state living for several hundreds of nanoseconds. Additionally, systematic comparison with the closely related mononuclear complex [Fe(terpy)2]2+ reveals that nuclearity has a profound impact on the photoinduced dynamics. Finally, this work provides guidelines for expanding the integration of oligonuclear complexes into new photoconversion schemes that may bemore » triggered by ultrafast spin-switching.« less

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [4]; ORCiD logo [4];  [5];  [6];  [5];  [7];  [7];  [7];  [7];  [7]; ORCiD logo [5]; ORCiD logo [8];  [9]; ORCiD logo [9];  [3];  [10] more »; ORCiD logo [11];  [5];  [12];  [13]; ORCiD logo [14];  [7];  [15];  [16];  [3];  [17];  [18] « less
+ Show Author Affiliations
  1. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  2. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Paderborn (Germany)
  3. Univ. Goettingen (Germany)
  4. Technical Univ. of Denmark, Lyngby (Denmark)
  5. Lund Univ. (Sweden)
  6. ELI-HU Non-Profit Ltd., Szeged (Hungary)
  7. European X-ray Free-Electron Laser (XFEL), Schenefeld (Germany)
  8. Lund Univ. (Sweden); Hong Kong Polytechnic Univ., Kowloon (Hong Kong)
  9. Max Planck Inst. for Biophysical Chemistry, Göttingen (Germany)
  10. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Bergische Univ., Wuppertal (Germany)
  11. Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials
  12. Tianjin Polytechnic Univ., Xiqing (China)
  13. Univ. of Paderborn (Germany)
  14. Univ. of Geneva (Switzerland)
  15. European X-ray Free-Electron Laser (XFEL), Schenefeld (Germany); Adam Mickiewicz Univ., Poznan (Poland)
  16. European X-ray Free-Electron Laser (XFEL), Schenefeld (Germany); Univ. of Hamburg (Germany)
  17. Technical Univ. of Denmark, Lyngby (Denmark); Lund Univ. (Sweden)
  18. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); ELI-HU Non-Profit Ltd., Szeged (Hungary)
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Office of Basic Energy Sciences (BES); European XFEL; German Research Foundation (DFG); Chinese Scholarship Council; German Federal Ministry of Education and Research (BMBF); Polish National Science Centre (NCN); Hamburg Centre for Ultrafast Imaging; French National Research Agency (ANR); European Regional Development Fund (ERDF)
OSTI Identifier:
1712729
Alternate Identifier(s):
OSTI ID: 1631383
Grant/Contract Number:  
AC02-06CH11357; 05K18PPA; 05K19PP1; BA-4467/7-1; 2016/22/E/ST4/00543; 2.3.6-15-2015-00001
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 152; Journal Issue: 21; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; absorption spectroscopy; free electron lasers; electromagnetic spectrum; photocatalysis; molecular electronic devices; solvation; density functional theory; photoexcitations; Mossbauer spectroscopy

Citation Formats

Naumova, Maria A., Kalinko, Aleksandr, Wong, Joanne W. L., Gutierez, Sol Alvarez, Meng, Jie, Liang, Mingli, Abdellah, Mohamed, Geng, Huifang, Lin, Weihua, Kubicek, Katharina C.J., Biednov, Mykola, Lima, Frederico, Galler, Andreas, Zalden, Peter, Checchia, Stefano, Mante, Pierre-Adrien, Zimara, Jennifer, Schwarzer, Dirk, Demeshko, Serhiy, Murzin, Vadim, Gosztola, David J., Jarenmark, Martin, Zhang, Jianxin, Bauer, Matthias, Daku, Max Latevi Lawson, Khakhulin, Dmitry, Gawelda, Wojciech, Bressler, Christian, Meyer, Franc, Zheng, Kaibo, and Canton, Sophie E. Exploring the Light-induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses Across the Electromagnetic Spectrum. United States: N. p., 2020. Web. doi:10.1063/1.5138641.
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Naumova, Maria A., Kalinko, Aleksandr, Wong, Joanne W. L., Gutierez, Sol Alvarez, Meng, Jie, Liang, Mingli, Abdellah, Mohamed, Geng, Huifang, Lin, Weihua, Kubicek, Katharina C.J., Biednov, Mykola, Lima, Frederico, Galler, Andreas, Zalden, Peter, Checchia, Stefano, Mante, Pierre-Adrien, Zimara, Jennifer, Schwarzer, Dirk, Demeshko, Serhiy, Murzin, Vadim, Gosztola, David J., Jarenmark, Martin, Zhang, Jianxin, Bauer, Matthias, Daku, Max Latevi Lawson, Khakhulin, Dmitry, Gawelda, Wojciech, Bressler, Christian, Meyer, Franc, Zheng, Kaibo, & Canton, Sophie E. Exploring the Light-induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses Across the Electromagnetic Spectrum. United States. https://doi.org/10.1063/1.5138641
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Naumova, Maria A., Kalinko, Aleksandr, Wong, Joanne W. L., Gutierez, Sol Alvarez, Meng, Jie, Liang, Mingli, Abdellah, Mohamed, Geng, Huifang, Lin, Weihua, Kubicek, Katharina C.J., Biednov, Mykola, Lima, Frederico, Galler, Andreas, Zalden, Peter, Checchia, Stefano, Mante, Pierre-Adrien, Zimara, Jennifer, Schwarzer, Dirk, Demeshko, Serhiy, Murzin, Vadim, Gosztola, David J., Jarenmark, Martin, Zhang, Jianxin, Bauer, Matthias, Daku, Max Latevi Lawson, Khakhulin, Dmitry, Gawelda, Wojciech, Bressler, Christian, Meyer, Franc, Zheng, Kaibo, and Canton, Sophie E. Sun . "Exploring the Light-induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses Across the Electromagnetic Spectrum". United States. https://doi.org/10.1063/1.5138641. https://www.osti.gov/servlets/purl/1712729.
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@article{osti_1712729,
title = {Exploring the Light-induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses Across the Electromagnetic Spectrum},
author = {Naumova, Maria A. and Kalinko, Aleksandr and Wong, Joanne W. L. and Gutierez, Sol Alvarez and Meng, Jie and Liang, Mingli and Abdellah, Mohamed and Geng, Huifang and Lin, Weihua and Kubicek, Katharina C.J. and Biednov, Mykola and Lima, Frederico and Galler, Andreas and Zalden, Peter and Checchia, Stefano and Mante, Pierre-Adrien and Zimara, Jennifer and Schwarzer, Dirk and Demeshko, Serhiy and Murzin, Vadim and Gosztola, David J. and Jarenmark, Martin and Zhang, Jianxin and Bauer, Matthias and Daku, Max Latevi Lawson and Khakhulin, Dmitry and Gawelda, Wojciech and Bressler, Christian and Meyer, Franc and Zheng, Kaibo and Canton, Sophie E.},
abstractNote = {Oligonuclear complexes of d4-d7 transition metal ion centers that undergo spin-switching have long been developed for their practical role in molecular electronics. Recently, they also have appeared as promising photochemical reactants demonstrating improved stability. However, the lack of knowledge about their photophysical properties in the solution phase compared to their mononuclear congeners is currently hampering their inclusion into advanced light-driven reactions. In the present study, the ultrafast photoinduced dynamics in a solvated [2x2] iron(II) metallogrid complex are characterized by combining transient optical, infrared absorption and X-ray emission spectroscopic measurements on the femtosecond timescale. The analysis is supported by DFT calculations. The photocycle can be described in terms of intra-site transitions, where the FeII in the low-spin (LS) state are independently photoexcited. The Franck-Condon state decays via the formation of a vibrationally-hot high-spin (HS) state that displays coherent behavior within a few picoseconds and thermalizes within tens of picosecond to yield a metastable HS state living for several hundreds of nanoseconds. Additionally, systematic comparison with the closely related mononuclear complex [Fe(terpy)2]2+ reveals that nuclearity has a profound impact on the photoinduced dynamics. Finally, this work provides guidelines for expanding the integration of oligonuclear complexes into new photoconversion schemes that may be triggered by ultrafast spin-switching.},
doi = {10.1063/1.5138641},
journal = {Journal of Chemical Physics},
number = 21,
volume = 152,
place = {United States},
year = {Sun Jun 07 00:00:00 EDT 2020},
month = {Sun Jun 07 00:00:00 EDT 2020}
}
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Reversible Thermally and Photoinduced Electron Transfer in a Cyano-Bridged {Fe2Co2} Square Complex
journal, April 2010

  • Zhang, Yuanzhu; Li, Dongfeng; Clérac, Rodolphe
  • Angewandte Chemie International Edition, Vol. 49, Issue 22
  • DOI: 10.1002/anie.201000765

Divergent Coordination Chemistry: Parallel Synthesis of [2×2] Iron(II) Grid-Complex Tauto-Conformers
journal, July 2016

  • Schäfer, Bernhard; Greisch, Jean-François; Faus, Isabelle
  • Angewandte Chemie International Edition, Vol. 55, Issue 36
  • DOI: 10.1002/anie.201603916

A Double-Switching Multistable Fe4 Grid Complex with Stepwise Spin-Crossover and Redox Transitions
journal, September 2010

  • Schneider, Benjamin; Demeshko, Serhiy; Dechert, Sebastian
  • Angewandte Chemie International Edition, Vol. 49, Issue 48
  • DOI: 10.1002/anie.201001536

Spin-crossover phenomena in extended multi-component metallo-supramolecular assemblies
journal, October 2009

  • Bodenthin, Y.; Schwarz, G.; Tomkowicz, Z.
  • Coordination Chemistry Reviews, Vol. 253, Issue 19-20
  • DOI: 10.1016/j.ccr.2008.10.019
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