Reactions of Copper Group Cluster Anions with Oxygen and Carbon Monoxide

Lee, Taeck Hong; Ervin, Kent M.

doi:10.1021/j100091a014

Cited by 219 publications

(277 citation statements)

References 20 publications

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“…stabilities, corresponding to peaks in ∆ 2 E, with oddnumbered clusters being relatively unstable (troughs in ∆ 2 E). This even-odd behaviour is due to the fact that the Au atom has an unpaired s electron, and so reflects the greater stability of Au clusters (either 2D or 3D) with an even number of electrons, over those with an odd number [74][75][76][77]. The most stable cluster is 2D Au 12 , although its ∆ 2 E energy is lower (by 0.67 eV) than the magic size Au 6 observed recently [37].…”

Section: Stabilitymentioning

confidence: 99%

Application of a parallel genetic algorithm to the global optimization of medium-sized Au–Pd sub-nanometre clusters

2018

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Abstract. To contribute to the discussion of the high activity and reactivity of Au-Pd system, we have adopted the BPGA-DFT approach to study the structural and energetic properties of medium-sized AuPd sub-nanometre clusters with 11-18 atoms. We have examined the structural behaviour and stability as a function of cluster size and composition. The study suggests 2D-3D crossover points for pure Au clusters at 14 and 16 atoms, whereas pure Pd clusters are all found to be 3D. For Au-Pd nanoalloys, the role of cluster size and the influence of doping were found to be extensive and non-monotonic in altering cluster structures. Various stability criteria (e.g. binding energies, second differences in energy, and mixing energies) are used to evaluate the energetics, structures, and tendency of segregation in sub-nanometre Au-Pd clusters. HOMO-LUMO gaps were calculated to give additional information on cluster stability and a systematic homotop search was used to evaluate the energies of the generated global minima of monosubstituted clusters and the preferred doping sites, as well as confirming the validity of the BPGA-DFT approach.

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Section: Stabilitymentioning

confidence: 99%

Application of a parallel genetic algorithm to the global optimization of medium-sized Au–Pd sub-nanometre clusters

2018

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“…Absolute bimolecular rate constants for the adsorption of CO on gold-cluster anions Au − n were determined with a guided-ion-beam setup for n ≤ 7 (Lee & Ervin 1994). These rates increase with increasing cluster size and show a pronounced step between n = 4 (a quasi-one-dimensional Y-shaped cluster with a singly connected gold atom) and n = 5, which adopts a planar W-shaped structure.…”

Section: Consequences Of Structure For Ion Chemistry and Electronic Smentioning

confidence: 99%

Determining the size-dependent structure of ligand-free gold-cluster ions

Schooss

Weis

Hampe

et al. 2010

Phil. Trans. R. Soc. A.

112

108

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Ligand-free metal clusters can be prepared over a wide size range, but only in comparatively small amounts. Determining their size-dependent properties has therefore required the development of experimental methods that allow characterization of sample sizes comprising only a few thousand mass-selected particles under well-defined collisionfree conditions. In this review, we describe the application of these methods to the geometric structural determination of Au + n and Au − n with n = 3-20. Geometries were assigned by comparing experimental data, primarily from ion-mobility spectrometry and trapped ion electron diffraction, to structural models from quantum chemical calculations.

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“…The kinetics of the reaction of anionic gold clusters with CO have been studied earlier. 12,13 Whetten and co-workers have studied the formation of anionic gold cluster carbonyls Au n (CO) m -and the occurrence of pronounced CO saturation numbers m sat . [14][15][16] Zhai and Wang have reported chemisorption saturation numbers for smaller clusters (n ) 2 to 5) obtained from photoelectron spectroscopy (PES).…”

Section: Introductionmentioning

confidence: 99%

Gold Cluster Carbonyls: Vibrational Spectroscopy of the Anions and the Effects of Cluster Size, Charge, and Coverage on the CO Stretching Frequency

et al. 2005

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Vous avez des questions? Nous pouvons vous aider. Pour communiquer directement avec un auteur, consultez la première page de la revue dans laquelle son article a été publié afin de trouver ses coordonnées. Si vous n'arrivez pas à les repérer, communiquez avec nous à PublicationsArchive-ArchivesPublications@nrc-cnrc.gc.ca. Questions? Contact the NRC Publications Archive team atPublicationsArchive-ArchivesPublications@nrc-cnrc.gc.ca. If you wish to email the authors directly, please see the first page of the publication for their contact information. NRC Publications Archive Archives des publications du CNRCThis publication could be one of several versions: author's original, accepted manuscript or the publisher's version. / La version de cette publication peut être l'une des suivantes : la version prépublication de l'auteur, la version acceptée du manuscrit ou la version de l'éditeur. For the publisher's version, please access the DOI link below./ Pour consulter la version de l'éditeur, utilisez le lien DOI ci-dessous.http://doi.org/10.1021/jp055856aAccess and use of this website and the material on it are subject to the Terms and Conditions set forth at NRC Publications Record / Notice d'Archives des publications de CNRC:http://nparc.cisti-icist.nrc-cnrc.gc.ca/eng/view/object/?id=0853f0e8-561c-4e8e-802f-559311e9f08e http://nparc.cisti-icist.nrc-cnrc.gc.ca/fra/voir/objet/?id=0853f0e8-561c-4e8e-802f-559311e9f08e Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany, and Steacie Institute for Molecular Sciences, National Research Council, 100 Sussex DriVe, Ottawa, Ontario K1A 0R6, Canada ReceiVed: October 13, 2005 We report the vibrational spectra of the carbonyl complexes of anionic gold clusters in the range of the CO stretching frequency as measured in the gas phase using IR multiple photon dissociation spectroscopy. The investigated complexes contain between 3 and 14 Au atoms and up to 7 CO ligands. Special attention is given to the complexes that exhibit saturation CO coverage as well as to the monocarbonyl species. In conjunction with data from the corresponding cationic complexes we quantify how the CO stretching frequency varies with the charge state of the gold cluster. Our results provide a size-and charge-dependent basis to interpret values of the CO stretching frequency measured for CO on deposited gold clusters in terms of the charge states of the clusters. Gold Cluster Carbonyls: Vibrational Spectroscopy of the Anions and the Effects of Cluster Fritz-Haber-Institut der

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Reactions of Copper Group Cluster Anions with Oxygen and Carbon Monoxide

Cited by 219 publications

References 20 publications

Application of a parallel genetic algorithm to the global optimization of medium-sized Au–Pd sub-nanometre clusters

Application of a parallel genetic algorithm to the global optimization of medium-sized Au–Pd sub-nanometre clusters

Determining the size-dependent structure of ligand-free gold-cluster ions

Gold Cluster Carbonyls: Vibrational Spectroscopy of the Anions and the Effects of Cluster Size, Charge, and Coverage on the CO Stretching Frequency

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