Regium bonds between Mn clusters (M = Cu, Ag, Au and n = 2–6) and nucleophiles NH3 and HCN
نویسندگان
چکیده
منابع مشابه
Investigation of structural and electronic properties of small Au n Cu m (n+m≤5) nano-clusters for Oxygen adsorption
In this study, the structures, the IR spectroscopy, and the electronic properties of AunCum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (GGA) and exchange correlation density functional theory (DFT). The study of an O2-AunCum system is important to identify the promotion effects of each of the two...
متن کاملInvestigation of structural and electronic properties of small Au n Cu m (n+m≤5) nano-clusters for Oxygen adsorption
In this study, the structures, the IR spectroscopy, and the electronic properties of AunCum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (GGA) and exchange correlation density functional theory (DFT). The study of an O2-AunCum system is important to identify the promotion effects of each of the two...
متن کاملinvestigation of structural and electronic properties of small au n cu m (n+m≤5) nano-clusters for oxygen adsorption
in this study, the structures, the ir spectroscopy, and the electronic properties of auncum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (gga) and exchange correlation density functional theory (dft). the study of an o2-auncum system is important to identify the promotion effects of each of the two...
متن کاملBonding Interactions of Metal Clusters [ Mn ( M = Cu , Ag , Au ; n = 1 - 4 ) ] with Ammonia . Are the Metal Clusters Adequate as a Model of Surfaces ?
Cálculos de densidade funcional (B3LYP/LANL2DZ) para clusters metálicos de amônia foram efetuados para obter comprimentos de ligação, modos de estiramento vibracional M-N, energias de ligação, cargas atômicas de Mulliken e potenciais adiabáticos de ionização. Os resultados indicam que átomos de cobre formam ligações mais intensas com amônia do que com prata ou ouro. A interação da ligação Ag n ...
متن کاملSurface segregation of Ag–Cu–Au trimetallic clusters
Segregation phenomena of Ag–Cu–Au trimetallic clusters with icosahedral structure are investigated by using a Monte Carlo method based on the second-moment approximation of the tight-binding (TB-SMA) potentials. We predict that the Ag atoms segregate to the surface of the Ag–Cu–Au trimetallic icosahedral clusters. The Ag concentrations in the surface layer of the clusters are about 11–29 at.% h...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2018
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c8cp03883j