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Double-Bond versus Triple-Bond Bridges: Does it Matter for the Charge-Transfer Absorption by Donor–Acceptor Chromophores?

Authors

  • Maj-Britt Suhr Kirketerp,

    1. Department of Physics and Astronomy, Aarhus University, Ny Munkegade, DK-8000 Aarhus C (Denmark), Fax: (+45) 86120740
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  • Michael Åxman Petersen Dr.,

    1. Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen (Denmark)
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  • Marius Wanko Dr.,

    1. CIC nanoGUNE, European Theoretical Spectroscopy Facility (ETSF), Centro Mixto CSIC-UPV/EHU and Departamento de Fisica de Materiales, Universidad del Pais Vasco, Avenida de Tolosa 72, 20018 San Sebastian (Spain)
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  • Henning Zettergren Dr.,

    1. Department of Physics, Stockholm University, AlbaNova University Center, 10691 Stockholm (Sweden)
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  • Angel Rubio Prof.,

    1. CIC nanoGUNE, European Theoretical Spectroscopy Facility (ETSF), Centro Mixto CSIC-UPV/EHU and Departamento de Fisica de Materiales, Universidad del Pais Vasco, Avenida de Tolosa 72, 20018 San Sebastian (Spain)
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  • Mogens Brøndsted Nielsen Prof.,

    1. Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen (Denmark)
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  • Steen Brøndsted Nielsen Prof.

    1. Department of Physics and Astronomy, Aarhus University, Ny Munkegade, DK-8000 Aarhus C (Denmark), Fax: (+45) 86120740
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Abstract

original image

Double vs triple: How is the electronic coupling between the donor and acceptor affected by alkene vs alkyne bridges? To address this question the authors have elucidated the intrinsic optical properties of p-nitrophenolates by using state-of-the-art gas-phase spectroscopy (see picture) and excited-state calculations.

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