Cationic Gold(II) Complexes: Experimental and Theoretical Study

0561243 - ÚOCHB 2023 RIV DE eng J - Journal Article
Mehara, J. - Surendran, A. K. - van Wieringen, T. - Setia, D. - Foroutan-Nejad, Cina - Straka, Michal - Rulíšek, Lubomír - Roithová, J.
Cationic Gold(II) Complexes: Experimental and Theoretical Study.
Chemistry - A European Journal. Roč. 28, č. 60 (2022), č. článku e202201794. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA MŠMT(CZ) LTAUSA19148
Institutional support: RVO:61388963
Keywords : density functional calculations * electronic spectroscopy * gold * mass spectrometry * vibrational spectroscopy
OECD category: Physical chemistry
Impact factor: 4.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/chem.202201794

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 [AuII(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 [AuII(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.
Permanent Link: https://hdl.handle.net/11104/0333927