title: 1,2,4-triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.
abstract: Ligand redistribution reactions are well documented for silver(I) N-heterocyclic carbene (NHC) complexes of the type [AgX(NHC)] (X = halido ligand), but only two reports have been described in the literature for gold analogues of the general formula [AuX(NHC)]. In both cases, the NHCs in question were exceptionally strong donors. To probe the dependence of ligand redistribution processes on NHC donor strength, a model study was conducted using a weakly donating 1,2,4-triazolin-5-ylidene (tazy) ligand and different halido coligands. For [AuX(tazy)] (X = Cl, Br, OAc, tazy = 4-benzyl-1-methyl-1,2,4-triazolin-5-ylidene), no ligand redistribution was found, while a reversible disproportionation between [AuI(tazy)] in solution and [Au(tazy)2][AuI2] in the solid state was observed and studied by means of X-ray crystallography, NMR and UV-Vis spectroscopy, as well as DFT calculations.
authors: Department of Chemistry, National University of Singapore, 3 Science Drive 3, 117543 Singapore, Singapore. chmhhv@nus.edu.sg.
authors: Shuai
authors: S
authors: Guo
authors: Jan Christopher
authors: JC
authors: Bernhammer
authors: Han Vinh
authors: HV
authors: Huynh
mesh_terms: D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D006046:Gold / Q000737:chemistry*; D006571:Heterocyclic Compounds / Q000737:chemistry; D007454:Iodides / Q000737:chemistry; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008697:Methane / Q000031:analogs & derivatives* / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D010100:Oxygen / Q000737:chemistry; D015203:Reproducibility of Results; D013053:Spectrophotometry; D013056:Spectrophotometry, Ultraviolet; D013237:Stereoisomerism; D013816:Thermodynamics; D014230:Triazoles / Q000737:chemistry*; D014466:Ultraviolet Rays; D014961:X-Ray Diffraction
chemical_list: D006571:Heterocyclic Compounds; D007454:Iodides; D008024:Ligands; D014230:Triazoles; C030011:carbene; C045575:1,2,4-triazole; D002244:Carbon; D006046:Gold; D008697:Methane; D010100:Oxygen