CINECA IRIS Institutional Research Information System
IRIS è la soluzione IT che facilita la raccolta e la gestione dei dati relativi alle attività e ai prodotti della ricerca. Fornisce a ricercatori, amministratori e valutatori gli strumenti per monitorare i risultati della ricerca, aumentarne la visibilità e allocare in modo efficace le risorse disponibili.
EnglishThe photoelectron (PE) and X-ray absorption (NEXAFS) spectra of gaseous diethynylthiophene (DET) at the C 1s and S 2p core levels are presented and discussed. The NEXAFS spectra have been obtained in the total-ion-yield mode. The ionization energies have been determined for C 1s and S 2p spectra by ¢SCF calculations, while the NEXAFS spectra, at both the C K-edge and S L-edge, have been simulated by STEX calculations. Good agreement between experiment and theory is generally observed. A strong perturbation of the electronic structure of thiophene at the R- and â-carbon atoms, induced by the two ethynyl substituents, is inferred by the analysis of the spectra.
| Titolo: | Gas-Phase Photoemission Investigation of Diethynylthiophene: Experiment and Theory | |
| Autori: | ||
| Data di pubblicazione: | 2003 | |
| Rivista: | ||
| Abstract: | The photoelectron (PE) and X-ray absorption (NEXAFS) spectra of gaseous diethynylthiophene (DET) at the C 1s and S 2p core levels are presented and discussed. The NEXAFS spectra have been obtained in the total-ion-yield mode. The ionization energies have been determined for C 1s and S 2p spectra by ¢SCF calculations, while the NEXAFS spectra, at both the C K-edge and S L-edge, have been simulated by STEX calculations. Good agreement between experiment and theory is generally observed. A strong perturbation of the electronic structure of thiophene at the R- and â-carbon atoms, induced by the two ethynyl substituents, is inferred by the analysis of the spectra. | |
| Handle: | http://hdl.handle.net/11575/16668 | |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
File in questo prodotto:
http://hdl.handle.net/11575/16668
Copyright © 2021