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Hydrogen Bonding and Sulfur–Sulfur Interactions in the Crystal Structure of the Radical-Cation Salt (BPDT-TTF)2[W6O19]

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Abstract

The synthesis and crystal structure of the salt (BPDT-TTF)2[W6O19] is described. The compound crystallizes in the triclinic space group P − 1 with a = 10.927(2) Å, b = 11.904(2) Å, c = 12.660(2) Å, α = 101.261(5)°, β = 115.174(5)°, and γ = 114.434(5)°. The bond length of the central C=C bond in BPDT-TTF is 1.384(17) Å, in accord with an oxidation state of +1 for the BPDT-TTF radical-cations and the observed stoichiometry between BPDT-TTF and [W6O19]2− which is 2:1.

Index Abstract

The X-ray crystallographic structure of the radical cation salt (BPDT-TTF)2[W6O19] has been determined and its structural features, including examples of interatomic interactions, as well as its 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 no NT05-2 42710 CHIRASYM) for financial support. EWR would like to sincerely thank Mrs. Nancy Erskine for additional editorial assistance. We also thank 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

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

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Reinheimer, E.W., Fourmigué, M. & Dunbar, K.R. Hydrogen Bonding and Sulfur–Sulfur Interactions in the Crystal Structure of the Radical-Cation Salt (BPDT-TTF)2[W6O19]. J Chem Crystallogr 39, 723–729 (2009). https://doi.org/10.1007/s10870-009-9521-4

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