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Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange

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    Research Article

    Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange
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    • Erik Schneider
      Erik Schneider
      Institute of Physical Chemistry, Karlsruhe Institute of Technology, 76131, Karlsruhe, Germany
      More by Erik Schneider
    • Katrina Brendle
      Katrina Brendle
      Institute of Physical Chemistry, Karlsruhe Institute of Technology, 76131, Karlsruhe, Germany
      More by Katrina Brendle
    • Patrick Jäger
      Patrick Jäger
      Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021, Karlsruhe, Germany
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    • Patrick Weis
      Patrick Weis
      Institute of Physical Chemistry, Karlsruhe Institute of Technology, 76131, Karlsruhe, Germany
      More by Patrick Weis
    • Manfred M. Kappes
      Manfred M. Kappes
      Institute of Physical Chemistry, Karlsruhe Institute of Technology, 76131, Karlsruhe, Germany
      Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021, Karlsruhe, Germany
      More by Manfred M. Kappes
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    Journal of The American Society for Mass Spectrometry

    Cite this: J. Am. Soc. Mass Spectrom. 2018, 29, 7, 1431–1441
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    https://doi.org/10.1007/s13361-018-1941-y
    Published April 17, 2018
    Copyright © 2018 © American Society for Mass Spectrometry 2018
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    Abstract

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    We present gas-phase structures of dimers of MnIII and FeIII meso-tetra(4-sulfonatophenyl)porphyrin multianions with various amounts of sodium and hydrogen counterions. The structural assignments are achieved by combining mass spectrometry, ion mobility measurements, quantum chemical calculations, and trajectory method collision cross section calculations. For a common charge state, we observe significant topological variations in the dimer structures of [(MTPPS)2+nX](6-n)- (M=MnIII, FeIII; X=H, Na; n = 1–3) induced by replacing hydrogen counterions by sodium. For sodium, the dimer structures are much more compact, a finding that can be rationalized by the stronger interactions of the sodium cations with the anionic sulfonic acid groups of the porphyrins as compared to hydrogen.

    Copyright © 2018 © American Society for Mass Spectrometry 2018

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    This article is cited by 7 publications.

    1. Patrick Jäger, Katrina Brendle, Erik Schneider, Stephan Kohaut, Markus K. Armbruster, Karin Fink, Patrick Weis, Manfred M. Kappes. Photodissociation of Free Metalloporphyrin Dimer Multianions. The Journal of Physical Chemistry A 2018, 122 (11) , 2974-2982. https://doi.org/10.1021/acs.jpca.8b00641
    2. Keisuke Tashiro, Yuki Ide, Tetsuya Taketsugu, Kazuaki Ohara, Kentaro Yamaguchi, Masato Kobayashi, Yasuhide Inokuma. Molecular Dynamics‐Based Conformational Simulation Method for Analysis of Arrival Time Distributions in Ion Mobility Mass Spectrometry. Advanced Theory and Simulations 2024, 7 (11) https://doi.org/10.1002/adts.202400691
    3. Magdalena M. Zimnicka. Structural studies of supramolecular complexes and assemblies by ion mobility mass spectrometry. Mass Spectrometry Reviews 2024, 43 (3) , 526-559. https://doi.org/10.1002/mas.21851
    4. Kyle D. W. Vollett, Daniel A. Szulc, Hai-Ling Margaret Cheng. A Manganese Porphyrin Platform for the Design and Synthesis of Molecular and Targeted MRI Contrast Agents. International Journal of Molecular Sciences 2023, 24 (11) , 9532. https://doi.org/10.3390/ijms24119532
    5. Ameneh Gholami, Oliver Hampe, Paul M. Mayer. Structures and dissociation of iron porphyrin complexes by ion mobility and collision-induced dissociation mass spectrometry. Canadian Journal of Chemistry 2023, 101 (4) , 260-273. https://doi.org/10.1139/cjc-2022-0133
    6. Christoph Schissler, Erik K. Schneider, Sergei Lebedkin, Patrick Weis, Gereon Niedner‐Schatteburg, Manfred M. Kappes, Stefan Bräse. Novel Cofacial Porphyrin‐Based Homo‐ and Heterotrimetallic Complexes of Transition Metals. Chemistry – A European Journal 2021, 27 (61) , 15202-15208. https://doi.org/10.1002/chem.202102376
    7. Yuting Li, Hui Shang, Qi Zhang, Mostafa Elabyouki, Wenhui Zhang. Theoretical study of the structure and properties of Ni/V porphyrins under microwave electric field: A DFT study. Fuel 2020, 278 , 118305. https://doi.org/10.1016/j.fuel.2020.118305
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    Journal of The American Society for Mass Spectrometry

    Cite this: J. Am. Soc. Mass Spectrom. 2018, 29, 7, 1431–1441
    Click to copy citationCitation copied!
    https://doi.org/10.1007/s13361-018-1941-y
    Published April 17, 2018
    Copyright © 2018 © American Society for Mass Spectrometry 2018
    Request reuse permissions

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