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Rhodium(i) complexes with carborane-substituted P,N ligands: investigations of electronic structure and dynamic behaviour

Coburger, Peter; Kahraman, Gizem; Straube, Axel; Hey-Hawkins, Evamarie


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    <subfield code="a">Two distorted square-planar Rh-I complexes (1 and 2) were obtained from [{RhCl(eta(4)-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.</subfield>
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