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In this work, N,2,5-trisubstituted pyrroles were synthesized and characterized by IR, UV–Vis and NMR spectroscopies. These materials' electronic and optical properties were then evaluated. Theoretical calculations were carried out by means of the Gaussian09 software and all the involved species were geometrically optimized in order to obtain the theoretic HOMO, LUMO and band gaps. From the HOMO and...