Molecular Structure and Donor–Acceptor Properties of β-(2,4,7-Trinitro-9-fluorenylideneaminooxy)propionic Acid Complexes with Triphenylene-Containing Systems

Quantum chemical calculations and FTIR spectroscopic studies show that β-(2,4,7-trinitro-9-fluorenylideneiminooxy)propionic acid (TNF-carb) can act as an electron acceptor. It stabilizes charge transfer complexes with discotic triphenylene-containing molecules. Complexes TNF-carb/discotic may have different compositions (up to 1/4) and stabilize their structure via π–π interaction, but with the complementary hydrogen bonding as well.