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Photoelectron spectroscopy (PES) study of gas-phase 2,5-(2,2-dithienyl)diethynyl-thiophene (TRIM): an experimental and theoretical study |
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| Authors: | G Polzonetti V Carravetta A Ferri P Altamura M Alagia R Richter M V Russo |
| Institution: | a Department of Physics and INFM, University Roma Tre, Via della Vasca Navale 84-00146 Roma, Italy b CNR ICQEM, Via V.Alfieri 1, 56010 Ghezzano, Pisa, Italy c Department of Chemistry, University ‘La Sapienza', P.le A.Moro 5-00185 Roma, Italy d TASC-INFM, Area Science Park, Basovizza, I-34010 Trieste, Italy e Sincrotrone Trieste, Basovizza (Area Science Park) 99, I-34012 Trieste, Italy |
| Abstract: | 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 S2p3/2 ionization potential value is lowered with respect to thiophene by −0.63 eV. |
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