In this work, an N-substituted diketopyrrolopyrrole (DPP)
derivative
Ph-DPP was synthesized, showing interaction toward Lewis alkaline
anions such as F–. The typical electron-transfer-dominated
anion−π interaction product Ph-DPP•– and unexpected isomer product i-Ph-DPP were both observed, and their
formation mechanism was studied by density functional theory calculations,
suggesting that a deprotonation initiation route is favored, which
gives interesting insight for understanding the debatable role of
F– in such non-covalent intermolecular interactions.