Electronic structure and VUV photoabsorption measurements of thiophene

D Jones, M Mendes, P Limao-Vieira, F Ferreira da Silva, N Jones, S Hoffmann, M Brunger

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4 Citations (Scopus)


The absolute photoabsorption cross sections for thiophene in the 5.0-10.7 eV range were measured using synchrotron radiation. New theoretical calculations performed at the time-dependent density functional theory level were used to qualitatively interpret the recorded photoabsorption spectrum. The calculations facilitated a re-analysis of the observed vibronic and Rydberg structures in the photoabsorption spectrum. Here a number of features have been re-assigned, while a number of other features have been assigned for the first time. This represents the most comprehensive and self-consistent assignment of the thiophene high-resolution photoabsorption spectrum to date.

Original languageEnglish
Article number064303
Number of pages11
JournalJournal of Chemical Physics
Issue number6
Publication statusPublished - 14 Feb 2019


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