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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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{
  "DOI": "10.1039/c9dt00628a", 
  "abstract": "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.", 
  "author": [
    {
      "family": "Coburger", 
      "given": " Peter"
    }, 
    {
      "family": "Kahraman", 
      "given": " Gizem"
    }, 
    {
      "family": "Straube", 
      "given": " Axel"
    }, 
    {
      "family": "Hey-Hawkins", 
      "given": " Evamarie"
    }
  ], 
  "container_title": "DALTON TRANSACTIONS", 
  "id": "69587", 
  "issue": "26", 
  "issued": {
    "date-parts": [
      [
        2019, 
        1, 
        1
      ]
    ]
  }, 
  "page": "9625-9630", 
  "title": "Rhodium(i) complexes with carborane-substituted P,N ligands: investigations of electronic structure and dynamic behaviour", 
  "type": "article-journal", 
  "volume": "48"
}
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