Synthesis of a novel twisted π-conjugated macrocycle via double Friedel-Crafts reaction and its physical properties.

Published in: Chemical communications (Cambridge, England) (2024)

We synthesized a cyclic molecule from diarylalkynes and Meldrum's acid derivatives as the methylenation reagent via double Friedel-Crafts reaction. Single-crystal X-ray structure analysis confirmed the twisted structure of the molecule. We also investigated their physical properties and homoconjugation by UV-Vis, photoluminescence, DFT and TD-DFT calculations.

Keyphrases

density functional theory
physical activity
mental health
molecular dynamics
molecular docking
quantum dots
high resolution
photodynamic therapy
molecular dynamics simulations
crystal structure
magnetic resonance imaging
dual energy
computed tomography
mass spectrometry