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

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

DALTON TRANSACTIONS, cilt.48, sa.26, ss.9625-9630, 2019 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 48 Konu: 26
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1039/c9dt00628a
  • Sayfa Sayıları: ss.9625-9630


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.