Synthesis, electronic and crystal structure of a new organic semiconductor tetramethyltetrathiafulvalene-trinitroresorcinol (2:1), (TMTTF)2(C6H2N3O8)

Abstract

Abstract A new organic semiconductor with trinitroresor-cinol as the anion, (TMTTF)2(C6H2N3O8) (1) (TMTTF: tetramethyltetrathiafulvalene), has been synthesized and its crystal structure has been investigated at room and low temperatures (295 and 110 K). The crystal structure of 1 is formed by one-dimensional stacks of cation-radicals (TMTTF)+1/2 separated by trinitroresorcinol anions (C6H2N3O8)–. This novel salt reveals semiconducting properties. Tight-binding band structure calculations for 1 have been carried out in order to understand the charge distribution among the different donors.