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Comparative Study of Measured and Computed Raman Optical Activity of a Chiral Transition Metal Complex

Authors

  • Dr. Christian Johannessen,

    1. WestCHEM, School of Chemistry, University of Glasgow, University Avenue, Glasgow G12 8QQ (United Kingdom)
    2. Manchester Interdisciplinary Biocentre, University of Manchester, 131 Princess St., Manchester M1 7DN (United Kingdom)
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  • Dr. Lutz Hecht,

    1. WestCHEM, School of Chemistry, University of Glasgow, University Avenue, Glasgow G12 8QQ (United Kingdom)
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  • Dr. Christian Merten

    Corresponding author
    1. Department of Chemistry, University of Alberta, Edmonton T6G 2G2, Alberta (Canada), Fax: (+1) 780-492-8231
    2. Fraunhofer Institute for Manufacturing Technology and Advanced Materials (IFAM), Wiener Straße 12, 28359 Bremen (Germany)
    • Department of Chemistry, University of Alberta, Edmonton T6G 2G2, Alberta (Canada), Fax: (+1) 780-492-8231
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Abstract

original image

On the ROA to somewhere: The first combined study of measured and computed Raman optical activity (ROA) of a transition metal complex under non-resonant scattering conditions is reported. ROA measurements of the two enantiomers of the dichloro[ethylenebis(4,5,6,7-tetrahydro-1-indenyl)] zirconium(IV) complex yield virtually mirror-image ROA spectra. The experimental spectra are directly comparable with predicted ROA spectra.

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