Study of Si4 and Si4− using threshold photodetachment (ZEKE) spectroscopy

Arnold, Caroline C.; Neumark, Daniel M.

doi:10.1063/1.465145

Cited by 154 publications

(77 citation statements)

References 55 publications

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“…Up to this point, experimental information about the structures was either indirect 10 or limited to very small clusters of up to four atoms. [11][12][13] This lack of knowledge about structures has limited our understanding of the physical, electronic and chemical properties of these clusters.…”

Section: Introductionmentioning

confidence: 99%

Structures and coalescence behavior of size-selected silicon nanoclusters studied by surface-plasmon-polariton enhanced Raman spectroscopy

Honea

Ogura

Peale³

et al. 1999

The Journal of Chemical Physics

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The structures and coalescence behavior of size-selected, matrix-isolated silicon clusters have been studied using surface-plasmon-polariton ͑SPP͒ enhanced Raman spectroscopy. The cluster ions were produced in a laser vaporization source, mass selected then deposited into a co-condensed matrix of Ar, Kr or N 2 on a liquid He cooled substrate. Raman spectra from monodisperse samples of the smaller clusters studied, Si 4 , Si 6 and Si 7 , show sharp, well-resolved, vibrations which are in good agreement with predictions based on ab initio calculations. From these comparisons we confirm that Si 4 is a planar rhombus, and assign Si 6 as a distorted octahedron and Si 7 as a pentagonal bypyramid. Si 5 depositions down to 5 eV did not reveal a measurable Raman spectrum under our experimental conditions. Evidence for cluster-cluster aggregation ͑or fragmentation͒ was observed under some conditions, even for a ''magic number'' cluster such as Si 6 . The spectra of the aggregated small clusters were identical to those observed for directly deposited larger cluster ''bands,'' such as Si [25][26][27][28][29][30][31][32][33][34][35] . The Raman spectra of the aggregated clusters bear some similarity to those of bulk amorphous silicon. Cluster-deposited thin films were prepared by sublimating the matrix material. Even under these ''soft landing'' conditions, changes in the Raman spectrum are observed with the thin films showing even greater similarity to amorphous silicon.

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Section: Introductionmentioning

confidence: 99%

Structures and coalescence behavior of size-selected silicon nanoclusters studied by surface-plasmon-polariton enhanced Raman spectroscopy

Honea

Ogura

Peale³

et al. 1999

The Journal of Chemical Physics

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“…The jet-cooled GaAs has been studied by the resonant two-photon ionization spectroscopy. 7 Neumark and co-workers [8][9][10][11][12] have used the negative ion zero-electron kinetic photodetachment spectroscopic techniques to study the electronic states of the neutral group IV and group III-V clusters. Weltner and co-workers [13][14][15] have studied matrix-isolated electron-spinresonance (ESR) spectra of small clusters of Ga, Si, Sn, and mixed group III-V elements.…”

Section: Introductionmentioning

confidence: 99%

Configuration Interaction Study of the Low-Lying Electronic States of GaBi

2002

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Ab initio based multireference singles and doubles configuration interaction calculations, which include relativistic effective core potentials of the constituting atoms, have been carried out to study the low-lying electronic states of GaBi. Potential energy curves and spectroscopic constants of the electronic states within 46 000 cm -1 of energy have been reported. The ground-state dissociation energy of GaBi is calculated to be 1.24 eV as compared with the observed value of 1.60 ( 0.17 eV. Effects of the spin-orbit coupling on the spectroscopic properties of some low-lying states below 25 000 cm -1 have been studied. A large spin-orbit coupling produces a strong mixing among different Λ-S states and changes the characteristics of the potential energy curves. Several avoided crossings in the potential curves of Ω states of GaBi are also noted. The zero-field splitting of the ground state of GaBi is estimated to be 463 cm + component, which survives the predissociation, are reported to be highly probable. The radiative lifetime of A 3 Π 0 + is estimated, and the component is found to be shortlived. The oscillator strengths of 0 + -0 + and 0 + -1 transitions for the lowest few vibrational levels are reported. A comparison of the electronic spectrum of GaX(X ) P, As, Sb, Bi) molecules has been made.

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“…The stabilities and charge-transfer of Mo 2 Si n (n = 9 -16) cluster are also investigated by Han et al [42]. However, to the best of our knowledge, few systematic investigations of Au 2 Si n (n = 1 -8) clusters have been performed. For example, if two gold atoms are doped in the silicon clusters, do their structures and properties differ from those of the bare silicon clusters?…”

Section: Introductionmentioning

confidence: 99%

“…We find some interesting tendencies in the geometric structures. Furthermore, the averaged atomic binding energies and fragmentation energies show that the Au 2 Si 5 isomer is the most stable structure for Au 2 Si n (n = 1 -8) clusters. In addition, the HOMO-LUMO gap, charge transfer, and polarizability were also analyzed and further compared.…”

Section: Introductionmentioning

confidence: 99%

“…Scherer et al [16 -18] have produced mixed coinage metal-silicon clusters by time-of-flight mass spectroscopy and studied the electronic states of CuSi, AgSi, and AuSi dimers by measuring their laser absorption spectra. In addition, the anionic V 2 Si n and Sc 2 Si n (n = 2 -6) clusters have been investigated by photoelectron spectroscopy (PES) and density functional theory (DFT) [19,20].…”

Section: Introductionmentioning

confidence: 99%

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Structures, Stabilities, and Electronic Properties of Gold Silicide Clusters: Comparison with Pure Silicon Clusters

Zhou

2012

Zeitschrift Für Naturforschung A

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The local meta-GGA (generalized gradient approximation) exchange correlation density functional (TPSS) with relativistic effective core potential was employed to systematically investigate the geometric structures, stabilities, and electronic properties of bimetallic Au 2 Si n (n = 1 -8) clusters. The optimized geometries show that the most stable isomers have a three-dimensional structure except for Au 2 Si 1,3 clusters. The doped gold atoms prefer to occupy the surface site in the Au 2 Si n clusters. Here, the averaged atomic binding energies and fragmentation energies show that the Au 2 Si 5 isomer is the most stable among the Au 2 Si n (n = 1 -8) clusters. A pronounced even-odd alternation is found in the energy difference between the highest occupied and the lowest unoccupied molecular orbital (HOMO-LUMO gaps), especially, the Au 2 Si 5 cluster has the largest HOMO-LUMO gap of 2.06 eV. Moreover, the reverse even-odd alternation rule to the average polarizability per atom versus the charges transfer was found. A transition point appears at n = 5.

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Study of Si4 and Si4− using threshold photodetachment (ZEKE) spectroscopy

Cited by 154 publications

References 55 publications

Structures and coalescence behavior of size-selected silicon nanoclusters studied by surface-plasmon-polariton enhanced Raman spectroscopy

Structures and coalescence behavior of size-selected silicon nanoclusters studied by surface-plasmon-polariton enhanced Raman spectroscopy

Configuration Interaction Study of the Low-Lying Electronic States of GaBi

Structures, Stabilities, and Electronic Properties of Gold Silicide Clusters: Comparison with Pure Silicon Clusters

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