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

Abstract

We present gas-phase structures of dimers of Mn{sup III} and Fe{sup III} 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){sub 2}+nX]{sup (6-n)-} (M=Mn{sup III}, Fe{sup III}; 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. .

Authors:
;  [1];  [2]; ;  [1]
  1. Karlsruhe Institute of Technology, Institute of Physical Chemistry (Germany)
  2. Karlsruhe Institute of Technology, Institute of Nanotechnology (Germany)
Publication Date:
OSTI Identifier:
22776893
Resource Type:
Journal Article
Journal Name:
Journal of the American Society for Mass Spectrometry
Additional Journal Information:
Journal Volume: 29; Journal Issue: 7; Other Information: Copyright (c) 2018 American Society for Mass Spectrometry; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1044-0305
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CHARGE STATES; COLLISIONS; COMPARATIVE EVALUATIONS; CROSS SECTIONS; HYDROGEN ADDITIONS; ION MOBILITY; IRON COMPLEXES; MANGANESE; MANGANESE COMPLEXES; MASS SPECTROSCOPY; PORPHYRINS; SODIUM ADDITIONS; STRONG INTERACTIONS; SULFONIC ACIDS

Citation Formats

Schneider, Erik, Brendle, Katrina, Jäger, Patrick, Weis, Patrick, and Kappes, Manfred M., E-mail: manfred.kappes@kit.edu. Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange. United States: N. p., 2018. Web. doi:10.1007/S13361-018-1941-Y.
Schneider, Erik, Brendle, Katrina, Jäger, Patrick, Weis, Patrick, & Kappes, Manfred M., E-mail: manfred.kappes@kit.edu. Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange. United States. doi:10.1007/S13361-018-1941-Y.
Schneider, Erik, Brendle, Katrina, Jäger, Patrick, Weis, Patrick, and Kappes, Manfred M., E-mail: manfred.kappes@kit.edu. Sun . "Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange". United States. doi:10.1007/S13361-018-1941-Y.
@article{osti_22776893,
title = {Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange},
author = {Schneider, Erik and Brendle, Katrina and Jäger, Patrick and Weis, Patrick and Kappes, Manfred M., E-mail: manfred.kappes@kit.edu},
abstractNote = {We present gas-phase structures of dimers of Mn{sup III} and Fe{sup III} 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){sub 2}+nX]{sup (6-n)-} (M=Mn{sup III}, Fe{sup III}; 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. .},
doi = {10.1007/S13361-018-1941-Y},
journal = {Journal of the American Society for Mass Spectrometry},
issn = {1044-0305},
number = 7,
volume = 29,
place = {United States},
year = {2018},
month = {7}
}