Aggregation of star-shaped tris(tetrathiafulvalenylethynyl) benzene in solution and in the solid state

Neutral hexabutylthio-1,3,5-tris(tetrathiafulvalenylethynyl)benzene aggregates in CD3CN–CDCl3 and CDCl3, whereas stronger stacking of the cationic counterparts in solution has been observed. In the solid state, X-ray analysis of hexamethylthio-1,3,5-tris(tetrathiafulvalenylethynyl)-benzene shows a columnar structure, reflecting the threefold face-to-face stacking interaction of the TTF units.