129307-94-4Relevant academic research and scientific papers
Experimental and Theoretical Study of the Reactivity of Gold Nanoparticles Towards Benzimidazole-2-ylidene Ligands
Rodríguez-Castillo, María,Lugo-Preciado, Gustavo,Laurencin, Danielle,Tielens, Frederik,van der Lee, Arie,Clément, Sébastien,Guari, Yannick,López-de-Luzuriaga, José M.,Monge, Miguel,Remacle, Fran?oise,Richeter, Sébastien
, p. 10446 - 10458 (2016/07/21)
The reactivity of benzimidazol-2-ylidenes with respect to gold nanoparticles (AuNPs) has been investigated using a combined experimental and computational approach. First, the grafting of benzimidazol-2-ylidenes bearing benzyl groups on the nitrogen atoms is described, and comparisons are made with structurally similar N-heterocyclic carbenes (NHCs) bearing other N-groups. Similar reactivity was observed for all NHCs, with 1) the erosion of the AuNPs under the effect of the NHC and 2) the formation of bis(NHC) gold complexes. DFT calculations were performed to investigate the modes of grafting of such ligands, to determine adsorption energies, and to rationalize the spectroscopic data. Two types of computational models were developed to describe the grafting onto large or small AuNPs, with either periodic or cluster-type DFT calculations. Calculations of NMR parameters were performed on some of these models, and discussed in light of the experimental data.
Gold and palladium hetero-bis-NHC complexes: Characterizations, correlations, and ligand redistributions
Guo, Shuai,Sivaram, Haresh,Yuan, Dan,Huynh, Han Vinh
, p. 3685 - 3696 (2013/07/26)
A series of new Au(I) hetero-bis-NHC complexes [Au(iPr 2-bimy)(NHC)]X (X = BF4, PF6, 2-6) and the hetero-tetrakis-NHC complex [Au2(iPr2-bimy) 2(μ-ditz)](BF4)2 (7) have been synthesized using the Au(I) acetato complex [Au(O2CCH3)( iPr2-bimy)] (C) as a basic metal precursor ( iPr2-bimy = 1,3-diisopropylbenzimidazolin-2-ylidene, ditz = 1,2,4-triazolidine-3,5-diylidene). The Au(III) hetero-bis-NHC complex trans-[AuCl2(iPr2-bimy)(Bn2-bimy)] BF4 (12; Bn2-bimy = 1,3-dibenzylbenzimidazolin-2-ylidene) and the hetero-tetrakis-NHC complex all-trans-[Au2Cl 4(iPr2-bimy)2(μ-ditz)](BF 4)2 (13) were obtained by oxidation of their corresponding Au(I) hetero-NHC precursors. For all Au(I) hetero-NHC complexes, the 13C carbene signals of the constant iPr2-bimy ligand are found to be highly correlated with those in Pd(II) analogues of the type trans-[PdBr2(iPr2-bimy)(NHC)], which could be applied to detect the σ-donating ability of the trans-standing NHC. In addition, an interesting ligand redistribution process was observed for some of the Au(I) hetero-bis-NHC complexes.
