Photoelectron spectroscopy (PES) study of gas-phase 2,5-(2,2′-dithienyl)diethynyl-thiophene (TRIM): an experimental and theoretical study

The X-ray photoelectron spectra of gaseous 2,5-(2,2′-dithienyl)diethynyl-thiophene (TRIM) in the C 1s and S 2p core level regions have been recorded by means of synchrotron radiation (SR) at ELETTRA. For all the non-equivalent carbon atoms of TRIM, ΔSCF calculations of the C 1s photoelectron spectra, have also been performed. All the carbons of the aromatic rings are perturbed by an electron charge withdrawing. The ethyne carbon atoms are negatively shifted in energy. The relative broadening of the S 2p accounts for the presence of two non-equivalent sulphur atoms. The S 2p3/2 ionization potential value is lowered with respect to thiophene by −0.63 eV.