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Investigation of substitution effects on novel Ru–dppz complexes by Raman spectroscopy in combination with DFT methods

Authors

  • Christian Kuhnt,

    1. Institute for Physical Chemistry, Friedrich-Schiller University Jena, 07743 Jena, Germany
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    • These authors have contributed equally to the presented work.

  • Stefanie Tschierlei,

    1. Institute for Physical Chemistry, Friedrich-Schiller University Jena, 07743 Jena, Germany
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    • These authors have contributed equally to the presented work.

  • Michael Karnahl,

    1. Institute for Anorganic and Analytical Chemistry, Friedrich-Schiller-University Jena, 07743 Jena, Germany
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  • Sven Rau,

    1. Department for Chemistry and Pharmacy, Friedrich-Alexander-University Erlangen Nürnberg, 91058 Erlangen, Germany
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  • Benjamin Dietzek,

    1. Institute for Physical Chemistry, Friedrich-Schiller University Jena, 07743 Jena, Germany
    2. Institute of Photonic Technology Jena e.V., 07745 Jena, Germany
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  • Michael Schmitt,

    1. Institute for Physical Chemistry, Friedrich-Schiller University Jena, 07743 Jena, Germany
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  • Jürgen Popp

    Corresponding author
    1. Institute for Physical Chemistry, Friedrich-Schiller University Jena, 07743 Jena, Germany
    2. Institute of Photonic Technology Jena e.V., 07745 Jena, Germany
    • Institute for Physical Chemistry, Friedrich-Schiller-University Jena, Helmholtzweg 4, 07743 Jena, Germany.
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Abstract

We present a combined Raman–density functional theory (DFT) study of novel dipyridophenazine (dppz) derivatives and their Ru–bipyridine complexes. Our results show that the molecular architecture of dppz and its Ru complexes can be considered to consist of two independent moieties, the structural ground state properties of which can be tuned independently by means of side-specific substitution. These results are expected to be of importance for the design of highly specific dppz-based DNA sensors. Methodologically, the results presented in this paper highlight the power of a combined Raman–DFT approach to unravel the details of the structural properties of complex molecules. Copyright © 2009 John Wiley & Sons, Ltd.

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