DOI: 10.1063/1.3682323. Gas-phase structures of neutral silicon clusters

Gas-phase structures of neutral silicon clusters

10.1063/1.3682323

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Vibrational spectra of neutral silicon clusters Sin, in the size range of n = 6–10 and for n = 15, have been measured in the gas phase by two fundamentally different IR spectroscopic methods. Silicon clusters composed of 8, 9, and 15 atoms have been studied by IR multiple photon dissociation spectroscopy of a cluster-xenon complex, while clusters containing 6, 7, 9, and 10 atoms have been studied by a tunable IR-UV two-color ionization scheme. Comparison of both methods is possible for the Si9 cluster. By using density functional theory, an identification of the experimentally observed neutral cluster structures is possible, and the effect of charge on the structure of neutrals and cations, which have been previously studied via IR multiple photon dissociation, can be investigated. Whereas the structures of small clusters are based on bipyramidal motifs, a trigonal prism as central unit is found in larger clusters. Bond weakening due to the loss of an electron leads to a major structural change between neutral and cationic Si8.

Bibliography

Haertelt, M., Lyon, J. T., Claes, P., de Haeck, J., Lievens, P., & Fielicke, A. (2012). Gas-phase structures of neutral silicon clusters. The Journal of Chemical Physics, 136(6).

Authors 6

Marko Haertelt (first)
Jonathan T. Lyon (additional)
Pieterjan Claes (additional)
Jorg de Haeck (additional)
Peter Lievens (additional)
André Fielicke (additional)

References 42 Referenced 69

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See supplementary material at http://dx.doi.org/10.1063/1.3682323 for additional isomers of Si9 and Si15, calculated IR resonances and IR intensities for the assigned ground state structures, and atomic Cartesian coordinates for Si8,9,15.
10.1103/PhysRevB.75.085411 / Phys. Rev. B (2007)

Dates

Type	When
Created	13 years, 6 months ago (Feb. 9, 2012, 3:52 p.m.)
Deposited	2 years, 2 months ago (June 25, 2023, 4:34 p.m.)
Indexed	1 month, 1 week ago (July 30, 2025, 6:58 a.m.)
Issued	13 years, 6 months ago (Feb. 9, 2012)
Published	13 years, 6 months ago (Feb. 9, 2012)
Published Online	13 years, 6 months ago (Feb. 9, 2012)
Published Print	13 years, 6 months ago (Feb. 14, 2012)

Funders 1

Deutsche Forschungsgemeinschaft 10.13039/501100001659
Region: Europe
gov (National government)
Labels3
1. German Research Association
2. German Research Foundation
3. DFG
Awards1
1. 893/4-1

BibTeX

@article{Haertelt_2012, title={Gas-phase structures of neutral silicon clusters}, volume={136}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.3682323}, DOI={10.1063/1.3682323}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Haertelt, Marko and Lyon, Jonathan T. and Claes, Pieterjan and de Haeck, Jorg and Lievens, Peter and Fielicke, André}, year={2012}, month=feb }

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    "published-print": {
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  "URL": "http://dx.doi.org/10.1063/1.3682323",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
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  "subject": [],
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  "article-number": "064301"
}