Modeling, preparation and characterization of new fluorophores for smart polymer composite films

Polymer composite films containing dyes of different structure characterized by optical responsiveness to external stimuli are studied because they are very promising for the development of smart and intelligent polymer devices for sensing and safety applications. In this context, a computational work was carried out for the screening of UV-Vis absorption and emission spectra of a series of fluorophores containing functionalized thiophene rings with push-pull groups. The theoretical most promising structures, based on new 1,4-bis-(thienylethynyl)benzene derivatives, were synthesized by a two-step sequence involving a Cassar-Heck coupling reaction followed by a Sila-Sonogashira reaction and and their main optical features were characterized in solution by UV-Vis and emission spectroscopies.