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ABSTRACT: Short Oligo(Para-Fluoro-Anisole) (OPFA) was electrochemically synthesized. Infrared absorption, Raman scattering, optical absorption and thermal analysis (TGA and DTA) techniques were used to justify the chemical structure and to prove the vibrational and optical properties of the oligomer under study. Furthermore, theoretical calculations based on ab initio Density Functional Theory (DFT) were performed in order to elucidate the structure–property relationship of OPFA oligomer and to argue the experimentally observed results. On the other hand, time-resolved photoluminescence (TR-PL) spectroscopy was used to investigate their decay process both in chloroform solution and film states. The faster PL decays in thin film, is the consequence of both conformational structure and intermolecular π–π stacking interactions.Highlights► Use of DFT to predict the oligomerization mechanism of fluoro-anisole. ► Optical and vibrational properties are reproduced based on model compound. ► Excited state dynamics are emphasized through TR-PL measurements.
Journal of Molecular Structure 01/2011; 997:37-45. · 1.40 Impact Factor