Reaction Sites of CO on Size-Selected Silicon Oxide Cluster Anions: A Model Study of Chemistry in the Interstellar Environment

We present reactions of size-selected free silicon oxide cluster anions, Si n O m – (n = 3–7, 2n – 1 ≤ m ≤ 2n + 2), with a CO gas. Adsorption of CO on Si n O m – is observed as a major reaction channel. The rate constant of the adsorption reaction is high for the oxygen-rich clusters with m ≥ 2n + 1...

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Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2016-01, Vol.120 (1), p.139-144
Main Authors: Arakawa, Masashi, Yamane, Ryo, Terasaki, Akira
Format: Article
Language:English
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Summary:We present reactions of size-selected free silicon oxide cluster anions, Si n O m – (n = 3–7, 2n – 1 ≤ m ≤ 2n + 2), with a CO gas. Adsorption of CO on Si n O m – is observed as a major reaction channel. The rate constant of the adsorption reaction is high for the oxygen-rich clusters with m ≥ 2n + 1, whereas almost no reaction product is observed for m ≤ 2n. DFT calculations revealed that a pair of dangling O atoms on 4-fold-coordinated Si atoms plays a key role, which is the adsorption site of CO on Si n O m –. Bond formation between CO and one of the dangling O atoms is associated with electron transfer from the CO molecule to the other dangling O atom. The present findings give molecular-level insights into adsorption of CO molecules on silicates in the interstellar environment.
ISSN:1089-5639
1520-5215
DOI:10.1021/acs.jpca.5b08900