Chirality, defects, and disorder in gold clusters

Garzón, Ignacio L.; Beltrán, Marcela R.; González, Gonzalo; Gutiérrez-González, Israel; Michaelian, K.; Reyes-Nava, Juan A.; Rodriguez-Hernandez, Juan I.

doi:10.1140/epjd/e2003-00187-4

Cited by 118 publications

(58 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…They exhibit electronic quantum size and photochromic effects1, a high degree of structural fluxionality234, and cluster size-sensitive catalytic properties, for example, ref. 5.…”

mentioning

confidence: 99%

Stable and solubilized active Au atom clusters for selective epoxidation of cis-cyclooctene with molecular oxygen

et al. 2017

View full text Add to dashboard Cite

The ability of Au catalysts to effect the challenging task of utilizing molecular oxygen for the selective epoxidation of cyclooctene is fascinating. Although supported nanometre-size Au particles are poorly active, here we show that solubilized atomic Au clusters, present in ng ml−1 concentrations and stabilized by ligands derived from the oxidized hydrocarbon products, are active. They can be formed from various Au sources. They generate initiators and propagators to trigger the onset of the auto-oxidation reaction with an apparent turnover frequency of 440 s−1, and continue to generate additional initiators throughout the auto-oxidation cycle without direct participation in the cycle. Spectroscopic characterization suggests that 7–8 atom clusters are effective catalytically. Extension of work based on these understandings leads to the demonstration that these Au clusters are also effective in selective oxidation of cyclohexene, and that solubilized Pt clusters are also capable of generating initiators for cyclooctene epoxidation.

show abstract

“…They exhibit electronic quantum size and photochromic effects1, a high degree of structural fluxionality234, and cluster size-sensitive catalytic properties, for example, ref. 5.…”

mentioning

confidence: 99%

Stable and solubilized active Au atom clusters for selective epoxidation of cis-cyclooctene with molecular oxygen

et al. 2017

View full text Add to dashboard Cite

show abstract

“…23 Other methods aim at the exploration of the conformational space through the application of ad hoc algorithms such as Monte Carlo ͑MC͒, 24 basin hopping ͑BH͒, 25,26 or genetic algorithms ͑GAs͒. [27][28][29][30] These approaches are commonly known as global optimization methods and have typically been used with classical potentials. 31,32 Among metal nanoclusters, gold particles in the size range of a few nanometers are particularly interesting, due to their unexpected physicochemical properties.…”

Section: Introductionmentioning

confidence: 99%

Free energy surface of two- and three-dimensional transitions of Au 12 nanoclusters obtained byab initiometadynamics

et al. 2010

View full text Add to dashboard Cite

The description of the conformational space generated by metal nanoparticles is a fundamental issue for the study of their physicochemical properties. In this investigation, an exhaustive exploration and a unified view of the conformational space of a gold nanocluster is provided using a Au 12 cluster as an example. Such system is characterized by coexisting planar/quasiplanar and tridimensional conformations separated by high-energy barriers. The conformational space of Au 12 has been explored by means of Born-Oppenheimer ab initio metadynamics, i.e., a molecular dynamics simulation coupled with a history dependent potential to accelerate events that might occur on a long time scale compared to the time step used in the simulations ͑rare events͒. The sampled conformations have complex, in general not intuitive topologies that we have classified as planar/quasiplanar or tridimensional, belonging to different regions of the free energy surface. Three conformational free energy basins were identified, one for the planar/quasiplanar and two for the tridimensional structures. At thermodynamic equilibrium, the planar/quasi-planar and tridimensional conformations were found to coexist, to be fluxional and to be separated by high-free-energy barriers. The comparison between the free energy and the potential energy revealed the relevance of the entropic contribution in the equilibrium distribution of the conformations of the cluster.

show abstract

“…The exploration of the origin of chirality in monolayer protected clusters protected by chiral ligands has been a very active research field in the last few decades [11,13,14]. The chirality of the clusters can be studied by CD spectroscopy.…”

Section: Chirality Of the Protected Silver Nanoclusters (1e3)mentioning

confidence: 99%

“…It was proposed that the clusters either have intrinsically chiral cores [13,14], or that the electrons feel a dissymmetric field that is created by chiral adsorbates, without a change in the geometric lattice of clusters [15]. While the latter is predicted by theory using a particle-in-a-box model, it is believed that intrinsically chiral structures of the core result from the interaction of the chiral ligand energetically favoring one specific chiral structure of the cluster.…”

Section: Introductionmentioning

confidence: 99%

Enantioselective silver nanoclusters: Preparation, characterization and photoluminescence spectroscopy

Farrag

2016

Materials Chemistry and Physics

View full text Add to dashboard Cite

Chirality, defects, and disorder in gold clusters

Cited by 118 publications

References 0 publications

Stable and solubilized active Au atom clusters for selective epoxidation of cis-cyclooctene with molecular oxygen

Stable and solubilized active Au atom clusters for selective epoxidation of cis-cyclooctene with molecular oxygen

Free energy surface of two- and three-dimensional transitions of Au 12 nanoclusters obtained byab initiometadynamics

Enantioselective silver nanoclusters: Preparation, characterization and photoluminescence spectroscopy

Contact Info

Product

Resources

About