Adiabatic electron affinity of pentacene and perfluoropentacene molecules studied by anion photoelectron spectroscopy: Molecular insights into electronic properties

Tsugunosuke Masubuchi, Yoshito Sugawara, Atsushi Nakajima

研究成果: Article査読

7 被引用数 (Scopus)

抄録

Pentacene (C22H14, PEN) and perfluoropentacene (C22F14, PFP) are considered promising building blocks of organic semiconductors. Using gas-phase anion photoelectron spectroscopy, the adiabatic electron affinity of PEN and PFP molecules is determined to be 1.43 ± 0.03 and 2.74 ± 0.03 eV, respectively, and the S0-T1 transition energies of PEN and PFP are evaluated to be 0.96 ± 0.06 and 0.72 ± 0.05 eV, respectively. Photoelectron spectra indicate that the vibronic coupling in PFP is stronger than that in PEN. Quantum chemistry calculations demonstrate that the strong vibronic coupling originates from significant structural displacement upon electron injection to PFP.

本文言語English
論文番号244306
ジャーナルJournal of Chemical Physics
145
24
DOI
出版ステータスPublished - 2016 12 28

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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