Merten, C.C.MertenAmkreutz, M.M.AmkreutzHartwig, A.A.Hartwig2022-03-042022-03-042010https://publica.fraunhofer.de/handle/publica/22171310.1016/j.molstruc.2010.02.052Metallocene complexes are an important type of catalysts for several applications. In the present work, the Ziegler-Natta-catalyst dichloro[(S,S)-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)] zirconium(IV) is investigated using vibrational circular dichroism (VCD) spectroscopy and density functional theory (DFT) calculations. Furthermore the influence of a different central ion as well as different counterions is examined theoretically. From the comparison of the experimental and calculated VCD spectra, it is concluded that the metal ion acts as a placeholder whose function is just to keep the conformation of the ligand in a chiral shape.en620540journal article