Experimental structure determination of silver cluster ions (Agn+,19⩽n⩽79)

Blom, Martine N.; Schooss, Detlef; Stairs, Jason R.; Kappes, Manfred M.

doi:10.1063/1.2208610

Cited by 65 publications

(76 citation statements)

References 55 publications

(30 reference statements)

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“…In effect, this allows an experimental verification of the mean bond length of a model structure (Blom et al 2006). In cases where a single isomer describes the TIED data very well, deviation of k s from unity can be mapped onto mean bond-length deviations of the model structures.…”

Section: (I) Collision Cross Sections From Ion-mobility Spectrometrymentioning

confidence: 99%

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

Schooss

Weis

Hampe

et al. 2010

Phil. Trans. R. Soc. A.

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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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Section: (I) Collision Cross Sections From Ion-mobility Spectrometrymentioning

confidence: 99%

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

Schooss

Weis

Hampe

et al. 2010

Phil. Trans. R. Soc. A.

Self Cite

111

108

View full text Add to dashboard Cite

show abstract

“…2 Information on the shape of cluster ions can be obtained from ion mobility measurements 3,4,5 and, recently, electron diffraction of trapped charged clusters has shown to be promising for revealing their structure. 6,7,8 Another possibility that is particularly sensitive to the internal cluster structure is the measurement of vibrational frequencies. A corresponding technique that has recently been successfully employed to determine the structure of cationic and neutral metal clusters containing between three and 20 atoms is far-infrared (vibrational) resonance enhanced multiple photon dissociation (FIR-MPD) spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

Nature of Ar bonding to small Con+ clusters and its effect on the structure determination by far-infrared absorption spectroscopy

Gehrke

Gruene

Fielicke

et al. 2009

The Journal of Chemical Physics

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Far-infrared vibrational spectroscopy by multiple photon dissociation has proven to be a very useful technique for the structural fingerprinting of small metal clusters. Contrary to previous studies on cationic V, Nb and Ta clusters, measured vibrational spectra of small cationic cobalt clusters show a strong dependence on the number of adsorbed Ar probe atoms, which increases with decreasing cluster size. Focusing on the series Co + 4 to Co + 8 we therefore use density-functional theory to analyze the nature of the Ar-Co + n bond and its role for the vibrational spectra. In a first step, energetically low-lying isomer structures are identified through first-principles basinhopping sampling runs and their vibrational spectra computed for a varying number of adsorbed Ar atoms. A comparison of these fingerprints with the experimental data enables in some cases a unique assignment of the cluster structure. Independent of the specific low-lying isomer, we obtain a pronounced increase of the Ar binding energy for the smallest cluster sizes, which correlates nicely with the observed increased influence of the Ar probe atoms on the IR spectra. Further analysis of the electronic structure motivates a simple electrostatic picture that not only explains this binding energy trend, but also why the influence of the rare-gas atom is much stronger than in the previously studied systems.

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“…2 Information on the shape of cluster ions can be obtained from ion mobility measurements [3][4][5] and, recently, electron diffraction of trapped charged clusters has shown to be promising for revealing their structure. [6][7][8] Information on the binding geometry of a given cluster is also contained in its vibrational spectrum, since the force constants are directly dependent on the structural arrangement of the atoms. In some cases, vibrational structure has been found in electronic excitation spectra.…”

Section: Introductionmentioning

confidence: 99%

Experimental vibrational spectra of gas-phase tantalum cluster cations

Gruene

Fielicke

Meijer

2007

The Journal of Chemical Physics

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We present gas-phase infrared spectra of tantalum cluster cations containing 6-20 atoms. Infrared multiple photon dissociation (IR-MPD) of their complexes with argon atoms is used to obtain vibrational spectra in the region between 90 cm −1 and 305 cm −1 . Many spectra have features in common with the vibrational spectra of the lighter homologues, vanadium and niobium, pointing to a common cluster growth mechanism.

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Experimental structure determination of silver cluster ions (Agn+,19⩽n⩽79)

Cited by 65 publications

References 55 publications

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

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

Nature of Ar bonding to small Con+ clusters and its effect on the structure determination by far-infrared absorption spectroscopy

Experimental vibrational spectra of gas-phase tantalum cluster cations

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