IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v7y2016i1d10.1038_ncomms12633.html
   My bibliography  Save this article

Electron-flux infrared response to varying π-bond topology in charged aromatic monomers

Author

Listed:
  • Héctor Álvaro Galué

    (Van’t Hoff Institute for Molecular Sciences, University of Amsterdam)

  • Jos Oomens

    (Van’t Hoff Institute for Molecular Sciences, University of Amsterdam
    Radboud University, Institute for Molecules and Materials, FELIX Laboratory)

  • Wybren Jan Buma

    (Van’t Hoff Institute for Molecular Sciences, University of Amsterdam)

  • Britta Redlich

    (Radboud University, Institute for Molecules and Materials, FELIX Laboratory)

Abstract

The interaction of delocalized π-electrons with molecular vibrations is key to charge transport processes in π-conjugated organic materials based on aromatic monomers. Yet the role that specific aromatic motifs play on charge transfer is poorly understood. Here we show that the molecular edge topology in charged catacondensed aromatic hydrocarbons influences the Herzberg-Teller coupling of π-electrons with molecular vibrations. To this end, we probe the radical cations of picene and pentacene with benchmark armchair- and zigzag-edges using infrared multiple-photon dissociation action spectroscopy and interpret the recorded spectra via quantum-chemical calculations. We demonstrate that infrared bands preserve information on the dipolar π-electron-flux mode enhancement, which is governed by the dynamical evolution of vibronically mixed and correlated one-electron configuration states. Our results reveal that in picene a stronger charge π-flux is generated than in pentacene, which could justify the differences of electronic properties of armchair- versus zigzag-type families of technologically relevant organic molecules.

Suggested Citation

  • Héctor Álvaro Galué & Jos Oomens & Wybren Jan Buma & Britta Redlich, 2016. "Electron-flux infrared response to varying π-bond topology in charged aromatic monomers," Nature Communications, Nature, vol. 7(1), pages 1-12, November.
    • Handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms12633
    DOI: 10.1038/ncomms12633
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/ncomms12633
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/ncomms12633?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms12633. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.