Reaction sites of CO on size-selected silicon oxide cluster anions: A model study of chemistry in the interstellar environment

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Abstract

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

Original languageEnglish
Pages (from-to)139-144
Number of pages6
JournalJournal of Physical Chemistry A
Volume120
Issue number1
DOIs
Publication statusPublished - Jan 14 2016

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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