IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v7y2016i1d10.1038_ncomms12949.html
   My bibliography  Save this article

Structural and quantum chemical analysis of exciton coupling in homo- and heteroaggregate stacks of merocyanines

Author

Listed:
  • David Bialas

    (Universität Würzburg, Institut für Organische Chemie and Center for Nanosystems Chemistry)

  • André Zitzler-Kunkel

    (Universität Würzburg, Institut für Organische Chemie and Center for Nanosystems Chemistry)

  • Eva Kirchner

    (Universität Würzburg, Institut für Organische Chemie and Center for Nanosystems Chemistry)

  • David Schmidt

    (Universität Würzburg, Institut für Organische Chemie and Center for Nanosystems Chemistry)

  • Frank Würthner

    (Universität Würzburg, Institut für Organische Chemie and Center for Nanosystems Chemistry)

Abstract

Exciton coupling is of fundamental importance and determines functional properties of organic dyes in (opto-)electronic and photovoltaic devices. Here we show that strong exciton coupling is not limited to the situation of equal chromophores as often assumed. Quadruple dye stacks were obtained from two bis(merocyanine) dyes with same or different chromophores, respectively, which dimerize in less-polar solvents resulting in the respective homo- and heteroaggregates. The structures of the quadruple dye stacks were assigned by NMR techniques and unambiguously confirmed by single-crystal X-ray analysis. The heteroaggregate stack formed from the bis(merocyanine) bearing two different chromophores exhibits remarkably different ultraviolet/vis absorption bands compared with those of the homoaggregate of the bis(merocyanine) comprising two identical chromophores. Quantum chemical analysis based on an extension of Kasha’s exciton theory appropriately describes the absorption properties of both types of stacks revealing strong exciton coupling also between different chromophores within the heteroaggregate.

Suggested Citation

  • David Bialas & André Zitzler-Kunkel & Eva Kirchner & David Schmidt & Frank Würthner, 2016. "Structural and quantum chemical analysis of exciton coupling in homo- and heteroaggregate stacks of merocyanines," Nature Communications, Nature, vol. 7(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms12949
    DOI: 10.1038/ncomms12949
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/ncomms12949
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/ncomms12949?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_ncomms12949. 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.