Synthesis of TSF Donors Substituted with the mesoDimethylethylenedithio Group: Structures and Conducting Properties of (meso-DM-BETS)2X (X- = PF6- and AsF6-)

Synthesis and X-ray structure analysis of TSF-based donors substituted with the meso-dimethylethylenedithio group (mesoDM-EDT-TSF and meso-DM-BETS) were successfully performed. The donor molecules in (meso-DM-BETS)(2)X (X- = PF6(-) and AsF6(-)) formed a dimerized face-to- face p-stack, and the packing pattern could be classified as ss-type. A tightbinding band calculation suggested that the meso-DM-BETS salts have a two-dimensional Fermi surface with a wide bandwidth. Both salts exhibited metallic conductivities down to low temperatures with sigma(r.t.) = 45-46 S cm(-1).

Automated summary

Synthesis and X-ray structure analysis of TSF-based donors substituted with the meso-dimethylethylenedithio group were successfully performed. The donor molecules in (meso-DM-BETS)(2)X formed a dimerized face-to-face p-stack, with a packing pattern classified as ss-type. Tight-binding band calculation suggested that the meso-DM-BETS salts have a two-dimensional Fermi surface and wide bandwidth. Both salts exhibited metallic conductivities down to low temperatures with sigma(r.t.) = 45-46 S cm(-1).