Synthesis, structure and physical properties of a two-dimensional organic metal, di[bis(ethylenedithiolo)tetrathiofulvalene] triiodide, (BEDT-TTF)2+I3-

Abstract

Electrical oxidation of bis(ethylenedithiolo)tetrathiofulvalene (BEDT-TTF) 1 in a nitrogen saturated tetrahydrofurane solution containing (n-C4H10)4N+I3 as electrolyte results in the deposition of crystal plates of (BEDT-TTF)+2I3 (C10H8S8)2I3. These two dimensional crystals are triclinic, space group P1, a = 9.211(2), b=10.850(4), c = 17.488(5) Aring, agr=96.95(2), β = 97.97(2), γ = 90.75(2)°, V = 1717 Aring3, Mr = 1150.01, Z=2, Dx =2.22 g cm-3. Rw = 0.037 for 2462 observed reflections. Sheets of alternating cations and anions occur in the compound. The most prominent intermolecular S-S contacts (∼3.5Aring) are found between the stacks of BEDT-TTF. The stacking of the molecules and the interstack contacts give the compound a two-dimensional character which influences the physical properties.