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FeIII(tmdta)]--twist-boat/half-chair conformer ratio reliably deduced from DFT-calculated Raman spectra |
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| Authors: | Meier Roland Maigut Joachim Kallies Bernd Lehnert Nicolai Paulat Florian Heinemann Frank W Zahn Gernot Feth Martin P Krautscheid Harald van Eldik Rudi |
| Institution: | Institute for Inorganic Chemistry, University of Erlangen-Nürnberg, Egerlandstrasse 1, 91058 Erlangen, Germany. |
| Abstract: | The equilibrium between the twist-boat (tb) and half-chair (hc) conformers of the central diamine chelate ring of Fe(III)(tmdta)]- in solids and aqueous solution has been studied by Raman spectroscopy, supported by calculated Raman spectra using Density Functional Theory. |
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