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

Tsugunosuke Masubuchi, Yoshito Sugawara, Atsushi Nakajima

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number244306
JournalJournal of Chemical Physics
Volume145
Issue number24
DOIs
Publication statusPublished - 2016 Dec 28

ASJC Scopus subject areas

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

Fingerprint

Dive into the research topics of 'Adiabatic electron affinity of pentacene and perfluoropentacene molecules studied by anion photoelectron spectroscopy: Molecular insights into electronic properties'. Together they form a unique fingerprint.

Cite this