Electronic structure and VUV photoabsorption measurements of thiophene

D. B. Jones, M. Mendes, P. Limão-Vieira, F. Ferreira da Silva, N. C. Jones, S. V. Hoffmann, M. J. Brunger

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1 Citation (Scopus)

Abstract

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
JournalJournal of Chemical Physics
Volume150
Issue number6
DOIs
Publication statusPublished - 14 Feb 2019

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