Small silicon-oxygen dianions in the gas phase

Thomas Sommerfeld; Klaus Franzreb; Richard C. Sobers; Peter Williams

doi:10.1016/j.chemphys.2006.05.025

Small silicon-oxygen dianions in the gas phase

Thomas Sommerfeld, Klaus Franzreb, Richard C. Sobers, Peter Williams

Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

Cs⁺ sputtering of a silicon target with simultaneous exposure of the Si surface to O₂ gas has produced small silicon-oxygen dianions Si_n O_{2 n + 1}^{2 -} (2 ≤ n ≤ 8) as well as Si₅ O₁₀^{2 -}. These dianions were observed by mass spectrometry for ion flight times of a few 10^-5 s. The two smallest species, Si₂ O₅^{2 -} and Si₃ O₇^{2 -}, have been identified unambiguously by their isotopic abundances. Ab initio electronic structure calculations are used to study the geometrical structure of the three most abundant species Si_n O_{2 n + 1}^{2 -} (n = 3, 4, 5), and for all three dianions several stable isomers are found. The structural motifs of the low-energy isomers are analyzed, and include in particular structures with trivalent oxygen atoms akin to impurities in solid silicon.

Original language	English (US)
Pages (from-to)	216-221
Number of pages	6
Journal	Chemical Physics
Volume	329
Issue number	1-3
DOIs	https://doi.org/10.1016/j.chemphys.2006.05.025
State	Published - Oct 26 2006

Keywords

Ab initio calculations
Dianions
Mass spectrometry
Silicon oxides

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.chemphys.2006.05.025

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@article{c6b193a06fa64a08a70f0cb60a5da54f,

title = "Small silicon-oxygen dianions in the gas phase",

abstract = "Cs+ sputtering of a silicon target with simultaneous exposure of the Si surface to O2 gas has produced small silicon-oxygen dianions Sin O2 n + 12 - (2 ≤ n ≤ 8) as well as Si5 O102 -. These dianions were observed by mass spectrometry for ion flight times of a few 10-5 s. The two smallest species, Si2 O52 - and Si3 O72 -, have been identified unambiguously by their isotopic abundances. Ab initio electronic structure calculations are used to study the geometrical structure of the three most abundant species Sin O2 n + 12 - (n = 3, 4, 5), and for all three dianions several stable isomers are found. The structural motifs of the low-energy isomers are analyzed, and include in particular structures with trivalent oxygen atoms akin to impurities in solid silicon.",

keywords = "Ab initio calculations, Dianions, Mass spectrometry, Silicon oxides",

author = "Thomas Sommerfeld and Klaus Franzreb and Sobers, {Richard C.} and Peter Williams",

note = "Funding Information: The experimental work at Arizona State University was supported by the National Science Foundation under Grant No. CHE 0111654. Computer time was generously provided by the Pittsburgh Center for Molecular and Materials Simulations. ",

year = "2006",

month = oct,

day = "26",

doi = "10.1016/j.chemphys.2006.05.025",

language = "English (US)",

volume = "329",

pages = "216--221",

journal = "Chemical Physics",

issn = "0301-0104",

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number = "1-3",

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TY - JOUR

T1 - Small silicon-oxygen dianions in the gas phase

AU - Sommerfeld, Thomas

AU - Franzreb, Klaus

AU - Sobers, Richard C.

AU - Williams, Peter

N1 - Funding Information: The experimental work at Arizona State University was supported by the National Science Foundation under Grant No. CHE 0111654. Computer time was generously provided by the Pittsburgh Center for Molecular and Materials Simulations.

PY - 2006/10/26

Y1 - 2006/10/26

N2 - Cs+ sputtering of a silicon target with simultaneous exposure of the Si surface to O2 gas has produced small silicon-oxygen dianions Sin O2 n + 12 - (2 ≤ n ≤ 8) as well as Si5 O102 -. These dianions were observed by mass spectrometry for ion flight times of a few 10-5 s. The two smallest species, Si2 O52 - and Si3 O72 -, have been identified unambiguously by their isotopic abundances. Ab initio electronic structure calculations are used to study the geometrical structure of the three most abundant species Sin O2 n + 12 - (n = 3, 4, 5), and for all three dianions several stable isomers are found. The structural motifs of the low-energy isomers are analyzed, and include in particular structures with trivalent oxygen atoms akin to impurities in solid silicon.

AB - Cs+ sputtering of a silicon target with simultaneous exposure of the Si surface to O2 gas has produced small silicon-oxygen dianions Sin O2 n + 12 - (2 ≤ n ≤ 8) as well as Si5 O102 -. These dianions were observed by mass spectrometry for ion flight times of a few 10-5 s. The two smallest species, Si2 O52 - and Si3 O72 -, have been identified unambiguously by their isotopic abundances. Ab initio electronic structure calculations are used to study the geometrical structure of the three most abundant species Sin O2 n + 12 - (n = 3, 4, 5), and for all three dianions several stable isomers are found. The structural motifs of the low-energy isomers are analyzed, and include in particular structures with trivalent oxygen atoms akin to impurities in solid silicon.

KW - Ab initio calculations

KW - Dianions

KW - Mass spectrometry

KW - Silicon oxides

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U2 - 10.1016/j.chemphys.2006.05.025

DO - 10.1016/j.chemphys.2006.05.025

M3 - Article

AN - SCOPUS:33749504704

SN - 0301-0104

VL - 329

SP - 216

EP - 221

JO - Chemical Physics

JF - Chemical Physics

IS - 1-3

ER -

Small silicon-oxygen dianions in the gas phase

Abstract

Keywords

ASJC Scopus subject areas

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