Investigation of spectroscopic and electrical properties of doped poly(pyrrole-3-carboxylic acid)

Spectrochim Acta A Mol Biomol Spectrosc. 2024 Sep 5:317:124368. doi: 10.1016/j.saa.2024.124368. Epub 2024 Apr 27.

Abstract

The spectroscopic and electrical properties of poly(pyrrole-3-carboxylic acid) doped with p-TSA- (p-toluenesulfonate) and AQS- (anthraquinone sulfonate) were investigated. The variation in electrical conductivity as a function of temperature shows that the systems have semiconductor-like electrical characteristics. The investigated polymers exhibit 3D conductivity and less than 0.6 eV energy gaps. The IR and Raman spectra show that the charge carriers are polarons and bipolarons. Doping the poly(pyrrole-3-carboxylic acid) increases the number of charge carriers. Electron paramagnetic resonance has shown that localized polarons and bipolarons are formed within these polymers.

Keywords: DFT and TD-DFT calculations; Electrical properties; IR and Raman spectroscopy; Polypyrrole derivatives.