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DOI: 10.1039/A804995E (Paper) Reference Section for: J. Mater. Chem., 1999, 9, 387-393

Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2

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Stéphane Golhen, Lahcène Ouahab, Albert Lebeuze, Mounir Bouayed, Pierre Delhaes, Yoshiaki Kashimura, Reizo Kato, Laurent Binet and Jean-Marc Fabre

Abstract

Preparation, crystal structures, EHT band calculations and physical properties of a semi-conducting κ-(EDS-EDT-TTF)2[Ag2(CN)3] (1) and a new metallic-like species α-(BETS)2Ag(CN)2 (2) are reported. κ-(EDS-EDT-TTF)2[Ag2(CN)3] 1: Mr=625.3, monoclinic space group P21/c, a=15.157(9), b=8.732(2), c=13.51(2) Å,β=90.94(3)°, V=1788 Å3, Z=2, Dc=2.324 g cm–3, R=0.055 for 2572 reflections with F2≥2σ(F2). In this compound the organic molecules adopt the so-called κ type of packing. In the inorganic sublattice the [Ag2(CN)3]– units form an infinite two-dimensional polymeric sheet. This compound shows a semi conducting behaviour, withσ300 K=3.0×10–4 S cm–1 and Ea=120 meV. α-(BETS)2Ag(CN)22: Mr=1304.4, orthorhombic space group P21212, a=9.5839(8), b=4.983(3), c=34.645(6), V=1654 Å3, Z=2, Dc=2.618 g cm–3, R=0.057 for 1136 reflections with F2≥2 σ(F2). Its crystal structure consists of two-dimensional organic sheets separated by linear Ag(CN)2– anions. The organic molecules adopt the so-called α type of packing with a dihedral angle between two molecules belonging to two adjacent chains of ca. 78°. This compound shows metallic behaviour in the range 300-2 K, with σ300 K=100 S cm–1.

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