A singlet biradicaloid zinc compound and its nonradical counterpart

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Autor/in:
Erscheinungsjahr:
2013
Medientyp:
Text
Schlagworte:
  • Organic compounds
  • Ligands
  • Imidazolium salts
  • Catalysis
  • Synthesis (Chemical)
  • Catalysts
  • Organic compounds
  • Ligands
  • Imidazolium salts
  • Catalysis
  • Synthesis (Chemical)
  • Catalysts
Beschreibung:
  • Metal ions with radical centers in their coordination sphere are key participants in biological and catalytic processes. In the present study, we describe the synthesis of the cAAC:ZnCl2 adduct (1) using a cyclic alkylaminocarbene (cAAC) as donor ligand. Compound 1 was treated with 2 equiv of KC8 and LiB(sec-Bu)(3)H to yield a deep blue-colored dicarbene zinc compound (cAAC)(2)Zn (2) and the colorless hydrogenated zinc compound (cAACH)(2)Zn (3), respectively. Compounds 2 and 3 were well characterized by spectroscopic methods and single-crystal X-ray structural analysis. Density functional theory calculations were performed for 2 which indicate that this molecule possesses a singlet biradicaloid character. Moreover, we show the application of 2 in CO2 activation, which yields a zwitterionic cAAC center dot CO2 adduct.
Lizenz:
  • info:eu-repo/semantics/restrictedAccess
Quellsystem:
Forschungsinformationssystem der UHH

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oai:www.edit.fis.uni-hamburg.de:publications/361ac854-cb09-404a-909d-4d996ff3838d