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

G. N. Bondarenko^a, S. A. Legkov^a, A. S. Merekalov^a, O. A. Otmakhova^a, and R. V. Talroze^a^,*

^aTopchiev Institute of Petrochemical Synthesis Russian Academy of Sciences, Moscow, 119991 Russia

Correspondence to: * e-mail: rtalroze@ips.ac.ru

Received 15 June, 2020

Abstract—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.

Keywords: quantum chemical calculations, FTIR spectroscopic studies, hydrogen bonds

DOI: 10.1134/S0036024422020042