Si{sub 3}O{sub 4}{sup -}. Vibrationally resolved photoelectron spectrum and ab initio calculations

Journal Article · Wed May 17 04:00:00 EDT 1995 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/ja00124a048· OSTI ID:62293

Fan, J; Nicholas, J B; Price, J M; Colson, S D ^[1]; Wang, L S ^[1]

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1. Pacific Northwest Lab., Richland, WA (United States)

In this communication we report a vibrationally resolved photoelectron spectrum of a relatively complex cluster, Si{sub 3}O{sub 4}{sup -}, for which we observe a single vibrational progression with a frequency of 800(50) cm{sup -}. We use quantum mechanical calculations to determine the structure of the cluster, which is found to be D{sub 2d} for the neutral ground state Si{sub 3}O{sub 4} and C{sub 2v} for Si{sub 3}O{sub 4}{sup -}. The agreement between the theoretical and experimental vertical and adiabatic detachment energies of the predicted Si{sub 3}O{sub 4}{sup -} geometry and the frequency and symmetry of the vibrations of Si{sub 3}O{sub 4}, suggest that the predicted structure is correct. 19 refs., 2 figs., 1 tab.

• Sponsoring Organization: USDOE
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 62293
• Journal Information: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 19 Vol. 117; ISSN JACSAT; ISSN 0002-7863
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
66 PHYSICS
ATOMIC CLUSTERS
GROUND STATES
IONS
MOLECULAR ORBITAL METHOD
PHOTOELECTRON SPECTROSCOPY
QUANTUM MECHANICS
SILICON OXIDES