Influence of substitution on the optical properties of functionalized pentacene monomers and crystals: Experiment and theory

Yasir Saeed, Kui Zhao, Nirpendra Singh, Ruipeng Li, John Edward Anthony, Aram Amassian, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

The influence of solubilizing substitutional groups on the electronic structure of prototypical functionalized pentacene molecules and crystals is studied by a combined experimental and theoretical approach. We experimentally establish characteristic effects of substituents on the electronic structure and relate those to theoretical optical spectra in order to explain the experimental results and provide a comprehensive picture of the substitution effects. Bands associated to C/Si atoms connecting the functional side group to the pentacene in the (6,13)-positions are the main contributors to the optical transitions. The amplitude of the redshift between the crystals and molecules provides insight in the packing structure. © 2013 Elsevier B.V. All rights reserved.
Original languageEnglish (US)
Pages (from-to)95-100
Number of pages6
JournalChemical Physics Letters
Volume585
DOIs
StatePublished - Oct 2013

ASJC Scopus subject areas

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

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