A combined spectroscopic and theoretical study of a series of aminomethyl end-capped oligothiophenes with potential applications in thin film devices

In this article, we investigate the vibrational properties of a series of p i-conjugated alpha,alpha'-bis(aminomethyl)-oligothiophenes, in the pristine state, as solids. The FT-IR and FT-Raman spectra have been studied in rela tion to the effective conjugation length of the compounds. We have used ab initio calculations, at the B3LYP/6-31G** and RHF/6-31G** levels, as a supp ort of the experimental analysis. Our study reveals that the aminomethyl en d groups easily undergo a protonation process upon reaction with atmospheri c moisture, although this does not affect the electronic structure of the p i-conjugated spine. This structural characteristic of these oligothiophenes brings new practical applications for possible technological developments.