Ultrasound-assisted polymerization of benzoquinone (BQ) with triphenylamine (TPA): comparison of computational and experimental studies

The present preliminary work reports chemical oxidative polymerization of benzoquinone with triphenylamine via ultrasound-assisted technique. The obtained polymer was characterized using Fourier transform infrared spectroscopy analysis, while the electronic transitions were analyzed via ultraviolet-visible studies. The experimental data were compared with the theoretically computed results using Gaussian 09 software. Theoretical IR and UV spectra were computed using DFT/B3LYP method with 6-311G basis set, and the results of spectral analysis were found to be in good agreement with the experimental ones. TEM analysis revealed flower-like particles, while the XRD results confirmed the formation of semi-crystalline polymers. Fluorescence studies exhibited emission around 800 nm, while the relative quantum yield was calculated to be 0.58. The synthesized polymer therefore holds immense potential to be used as near infrared bioimaging agent.

Automated summary

The study reported the chemical oxidative polymerization of benzoquinone with triphenylamine using ultrasound-assisted technique, characterizing the polymer obtained through various analyses. The experimental data were in good agreement with the theoretically computed results, showcasing the potential of the synthesized polymer as a near infrared bioimaging agent.