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Crystal Structure of the Radical-Cation Salt (o-Me2TTF)I3 with Close Intermolecular Sulfur Contacts

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Abstract

The synthesis and crystal structure of the organic radical-cation salt (o-Me2TTF)I3 is described. The salt crystallizes in the monoclinic space group P2 1 /n with a = 10.927(2) Å, b = 11.904(2) Å, c = 12.660(2) Å, β = 115.174(5)°. The bond length of the central C=C bond in o-Me2TTF is 1.401(1) Å, indicating an approximate oxidation state of +1 for the o-Me2TTF radical cation.

Graphical Abstract

The X-ray crystallographic structure of the radical cation salt (o-Me2TTF)I3 has been determined and its structural properties and synthetic preparation are discussed.

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Acknowledgments

KRD gratefully acknowledges the National Science Foundation, the Department of Energy and the Welch Foundation for support of the Texas A & M team. MF thanks the French Agence Nationale de la Recherche (ANR, contract n° NT05-2 42710 CHIRASYM) for financial support. EWR would like to sincerely thank Mrs. Nancy Erskine for additional editorial assistance. We also acknowledge Thierry Roisnel (Centre de Diffractométrie, Rennes) for the X-ray data collection.

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Authors and Affiliations

  1. Sciences Chimiques de Rennes, Equipe MaCSE, UMR 6226 CNRS-Université Rennes 1, Campus de Beaulieu, 35042, Rennes, France

    Eric W. Reinheimer & Marc Fourmigué

  2. Department of Chemistry, Texas A & M University, College Station, TX, 77842-3012, USA

    Eric W. Reinheimer & Kim R. Dunbar

Authors
  1. Eric W. Reinheimer
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  2. Marc Fourmigué
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  3. Kim R. Dunbar
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Correspondence to Marc Fourmigué or Kim R. Dunbar.

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Reinheimer, E.W., Fourmigué, M. & Dunbar, K.R. Crystal Structure of the Radical-Cation Salt (o-Me2TTF)I3 with Close Intermolecular Sulfur Contacts. J Chem Crystallogr 39, 735–739 (2009). https://doi.org/10.1007/s10870-009-9520-5

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