Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes

Two new coronene charge transfer
complexes with F4-TCNQ
of 2:1 and 1:1:1 (solvate with acetonitrile, MeCN) stoichiometry were
obtained using crystal growth procedures from the solution and vapor
phase. It was shown that mobility of coronene molecules in crystals
is more affected by the asymmetry of its surrounding than by the composition
and degree of charge transfer and interstack interactions. The combination
of X-ray diffraction and electrochemistry in the solid state and a
time-resolved one in solution allowed us to clarify the nucleation
in solution showing that the formation of 2:1 coronene/F4-TCNQ complexes is thermodynamically preferable. The X-ray single
crystal data for pristine coronene showed the crystal structure to
be the same as at ambient temperature, raising doubt about the previously
reported phase transitions at 140–180 K.