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Structures, spectroscopy and modeling of a rare set of isomeric copper(II) complexes |
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| Authors: | Peter Comba Shanthi Pandian Hubert Wadepohl Sebastian Wiesner |
| Institution: | Universität Heidelberg, Anorganisch-Chemisches Institut, INF 270, D-69120 Heidelberg, Germany |
| Abstract: | The structures and spectroscopic properties of various conformations of two diasteromeric pairs of enantiomers of pentacoordinate CuII bispidine complexes with chiral tetradentate ligands are reported. With one of the ligands an interesting type of distortional isomerism was observed experimentally, and this was studied in detail on the basis of the experimental structural and spectroscopic data (UV-Vis-NIR, EPR) and a DFT-, MM- and ligand-field-theory-based analysis. |
| Keywords: | Distortional isomerism Density functional theory Ligand field Diastereo isomer Copper bispidine Axial and rhombic |
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