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Rhodium(i) complexes with carborane-substituted P,N ligands: investigations of electronic structure and dynamic
Peter Coburger1, Gizem Kahraman, Axel Straube
1Leipzig University, Faculty of Chemistry and Mineralogy, Institute of Inorganic Chemistry, Johannisallee 29, D-04103 Leipzig, Germany. hey@uni-leipzig.de.
Abstract:
Two distorted square-planar RhI complexes (1 and 2) were obtained from [{RhCl(η4-cod)}2] and the respective P,N ligands. The metal-ligand interaction was probed with density functional theory (DFT) and ab initio (CASSCF-NEVPT2) calculations. NMR spectroscopy proved dynamic binding behaviour of the ligands in solution. The tetradenticity of the ligands also affects the electrochemical behaviour of complexes 1 and 2 significantly. Finally, preliminary catalytic studies, namely the dehydrocoupling of dimethylamine-borane, are presented.
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