Login / Signup

Cationic Gold(II) Complexes: Experimental and Theoretical Study.

Jaya MeharaAdarsh Koovakattil SurendranTeun van WieringenDeeksha SetiaCina Foroutan-NejadMichal StrakaLubomír RulíšekJana Roithová
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Gold(II) complexes are rare, and their application to the catalysis of chemical transformations is underexplored. The reason is their easy oxidation or reduction to more stable gold(III) or gold(I) complexes, respectively. We explored the thermodynamics of the formation of [Au II (L)(X)] + complexes (L=ligand, X=halogen) from the corresponding gold(III) precursors and investigated their stability and spectral properties in the IR and visible range in the gas phase. The results show that the best ancillary ligands L for stabilizing gaseous [Au II (L)(X)] + complexes are bidentate and tridentate ligands with nitrogen donor atoms. The electronic structure and spectral properties of the investigated gold(II) complexes were correlated with quantum chemical calculations. The results show that the molecular and electronic structure of the gold(II) complexes as well as their spectroscopic properties are very similar to those of analogous stable copper(II) complexes.
Keyphrases
  • optical coherence tomography
  • computed tomography
  • molecular docking
  • nitric oxide
  • molecular dynamics simulations
  • hydrogen peroxide
  • mass spectrometry
  • gold nanoparticles
  • density functional theory