Synthesis, Characterization and Computational Studies of New Perylene Tetracarboxylic Diimides
The present article reports three new symmetrical Perylene Tetra-Carboxylic Diimides (PTCDIs) namely N, N′-Bis (3-ethoxypropyl) perylene-3,4,9,10-tetracarboxylic diimide (EPA-PTCDI), N,N′-Bis (4-octyloxyphenyl) perylene-3,4,9,10-tetracarboxylic diimide (OOA-PTCDI) and N,N′-Bis (tryptamine) perylene-3,4,9,10-tetracarboxylic diimide (TRY-PTCDI). The synthesized compounds are studied using FT-IR, 1H NMR and mass spectral techniques. Based on the self-assembly of the synthesized compounds, the aggregates are well formed due to π-π stacking. Rod like morphological features are observed using optical microscopy and phase contrast microscopy techniques. Computational studies such as NMR shielding analysis, Molecular Electrostatic Potential (MEP) analysis and Natural Bonding Orbital (NBO) analysis are carried out to get a better perspective of the synthesized compounds.
Perylene Tetra-Carboxylic Diimides, Mass spectral techniques, Ï€-Ï€ stacking, Microscopy, Shielding analysis.