Crystal and electronic structures of new molecular semiconductors with trinitroresorcinol anions

Abstract New salts of some organic π -donors with anions of styphnic (trinitroresorcinol) acid have been synthesized—(TMTTF) 2 (C 6 H 2 N 3 O 8 ) and (ET) 2 (C 6 H 2 N 3 O 8 )(C 6 H 3 N 3 O 8 )—and their X-ray study has been performed. Both compounds are semiconductors. The different origin of their activated conductivities is explained on the basis of tight binding band structure calculations.