Structures and stabilities of Au+Arn (n=1–6) clusters

Zhang, PingXia; Zhao, Yongfang; Fengyou, Hao; Song, XiuDan; Zhang, Guohua; Wang, Yan

doi:10.1016/j.theochem.2008.12.018

Cited by 15 publications

(20 citation statements)

References 45 publications

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“…[40] Additional calculations for the closed-shell Au + À Ar complex also verify the validity of the level of theory adopted, as the Au + À Ar bond length and binding energy are calculated to be 250 pm and 0.48 eV,respectively,which is in excellent agreement with some of the highest-level calculations avail- able. [11,14,41] Thedifferential binding energies show adecreasing trend, depending on the number of Ar atoms as well as the composition, which means doping the Au 3 + cluster with Ag atoms reduces the binding energies.…”

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confidence: 82%

The Nature of Bonding between Argon and Mixed Gold–Silver Trimers

et al. 2015

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The controversial nature of chemical bonding between noble gases and noble metals is addressed. Experimental evidence of exceptionally strong Au-Ar bonds in Ar complexes of mixed Au-Ag trimers is presented. IR spectra reveal an enormous influence of the attached Ar atoms on vibrational modes, particularly in Au-rich trimers, where Ar atoms are heavily involved owing to a relativistically enhanced covalency. In Ag-rich trimers, vibrational transitions of the metal framework predominate, indicating a pure electrostatic character of the Ag-Ar bonds. The experimental findings are analyzed by means of DFT calculations, which show how the relativistic differences between Au and Ag are manifested in stronger Au-Ar binding energies. Because of the ability to vary composition and charge distribution, the trimers serve as ideal model systems to study the chemical nature of the bonding of noble gases to closed-shell systems containing gold.

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confidence: 82%

The Nature of Bonding between Argon and Mixed Gold–Silver Trimers

et al. 2015

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“…In the last two decades, considerable progress has been made in the experimental and theoretical investigation of the complexes of various singly-charged main-group and transition-metal cations with neon, argon, krypton and xenon. [79][80][81][82][83][84][85][86][87][88][89][90][91][92][93][94] The current interest is, however, mainly focused on the somewhat special group of the M + (He) n cluster-size systems obtained from the ionization of metal-doped helium nanodroplets. [43][44][45][46][47][48][49][50][51][52][53] In typical experimental set-ups, 44,46 He droplets are first produced by the supersonic expansion of pre-cooled helium gas at stagnation pressures of 20-60 bars through a nozzle of 5-10 μm diameter at temperatures of 8-14 K. In these conditions, the mean droplet size is in the range of 10 3 -10 7 atoms.…”

Section: Noble Gases As Ligands Of Ionic Speciesmentioning

confidence: 99%

Gas-Phase Ion Chemistry of the Noble Gases: Recent Advances and Future Perspectives

Grandinetti

2011

Eur J Mass Spectrom (Chichester)

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This review article surveys recent experimental and theoretical advances in the gas-phase ion chemistry of the noble gases. Covered issues include the interaction of the noble gases with metal and non-metal cations, the conceivable existence of covalent noble-gas anions, the occurrence of ion-molecule reactions involving singly-charged xenon cations, and the occurrence of bond-forming reactions involving doubly-charged cations. Research themes are also highlighted, that are expected to attract further interest in the future.

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“…[32][33][34] For neutral Ag trimers it is found that noble-gas atoms lead to some band-shifts but do not perturb the vibrational spectrum significantly. 35 On the other hand, for noble-gas (Ng) complexes of the closed-shell coinage metal cations M + (M = Au, Ag, Cu), enhanced strengths of the Au + -Ng bonds, as the Ng changes from He to Xe, was indicated by Pyykkö et al 36,37 This concept was subject to numerous further studies, [38][39][40][41][42][43][44][45] and the stronger Au + -Ng bonds are explained to be due to the relativistically increased electronegativity of Au, leading to an enhanced covalency of the Au-Ng interactions. The inclusion of Ar atoms is at the center of this study and will therefore be discussed in depth.…”

Section: Introductionmentioning

confidence: 99%

Charge-induced dipole vs. relativistically enhanced covalent interactions in Ar-tagged Au-Ag tetramers and pentamers

Shayeghi

Schäfer

Rayner

et al. 2015

The Journal of Chemical Physics

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Vibrational spectra of Au(n)Ag(m)(+)⋅Ar(k) (n + m = 4, 5; k = 1-4) clusters are determined by far-infrared resonant multiple photon dissociation spectroscopy in the range ν̃=100-250 cm(-1). The experimental spectra are assigned using density functional theory for geometries obtained by the Birmingham cluster genetic algorithm. Putative global minimum candidates of the Ar complexes are generated by adding Ar atoms to the Au(n)Ag(m)(+) low energy isomers and subsequent local optimization. Differential Ar binding energies indicate exceptionally strong Au-Ar bonds in Au-rich clusters, leading to fundamental changes to the IR spectra. The stronger Ar binding is attributed to a relativistically enhanced covalent character of the Au-Ar bond, while in Au-rich species charge-induced dipole interactions overcompensate the relativistic affinity to Au. Moreover, not only the absolute composition but also the topologies are essential in the description of Ar binding to a certain cluster.

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Structures and stabilities of Au+Arn (n=1–6) clusters

Cited by 15 publications

References 45 publications

The Nature of Bonding between Argon and Mixed Gold–Silver Trimers

The Nature of Bonding between Argon and Mixed Gold–Silver Trimers

Gas-Phase Ion Chemistry of the Noble Gases: Recent Advances and Future Perspectives

Charge-induced dipole vs. relativistically enhanced covalent interactions in Ar-tagged Au-Ag tetramers and pentamers

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