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

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Coburger P., Kahraman G., Straube A., Hey-Hawkins E.

DALTON TRANSACTIONS, vol.48, no.26, pp.9625-9630, 2019 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 48 Issue: 26
  • Publication Date: 2019
  • Doi Number: 10.1039/c9dt00628a
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.9625-9630
  • Yıldız Technical University Affiliated: No


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.