The X-ray photoelectron spectra of gaseous 2,5-(2,2 ' -dithienyl:)diethynyl-thiophene (TRIM) in the C is 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, Delta SCF calculations of the C Is 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 2p(3/2) ionization potential value is lowered with respect to thiophene by -0.63 eV.
Photoelectron spectroscopy (PES) study of gas-phase 2,5-(2,2 '-dithienyl)diethynyl-thiophene (TRIM): an experimental and theoretical study / Polzonetti, G; Carravetta, V; Ferri, A; Altamura, P; Alagia, M; Richter, R; Russo, Maria Vittoria. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - 340:(2001), pp. 449-457. [10.1016/S0009-2614(01)00422-5]
Photoelectron spectroscopy (PES) study of gas-phase 2,5-(2,2 '-dithienyl)diethynyl-thiophene (TRIM): an experimental and theoretical study
RUSSO, Maria Vittoria
2001
Abstract
The X-ray photoelectron spectra of gaseous 2,5-(2,2 ' -dithienyl:)diethynyl-thiophene (TRIM) in the C is 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, Delta SCF calculations of the C Is 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 2p(3/2) ionization potential value is lowered with respect to thiophene by -0.63 eV.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
