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Reactivity of Atomic Gold Anions toward Oxygen and the Oxidation of CO: Experiment and Theory
Abstract
Results for the binding of carbon monoxide and oxygen along with the oxidation of CO in the presence of atomic Au(-) have been obtained utilizing a fast-flow reactor mass spectrometer. In addition, density functional calculations have been performed to explain the experimental findings. It was observed that upon oxygen addition to the metal plasma, gold oxide species of the form AuO(n)(-), where n = 1-3, were produced. The addition of carbon monoxide to the preoxidized gold atom revealed that AuO(-) and AuO(3)(-) promote the oxidation of CO. Density functional calculations on structures and their energetics confirmed the experimental findings and allowed us to propose mechanisms for the oxidation of carbon monoxide. The reactions of CO with AuO(1,3)(-) proceed via complex formation with CO bound to the oxygen atom, followed by either cleavage of the Au-O bond or complex rearrangement to form a weakly bound CO(2) unit, leading in both cases to the emanation of CO(2).
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Cites
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
Krishnan, R., Binkley, J. S., Seeger, R., & Pople, J. A. (1980) · The Journal of Chemical Physics · doi:10.1063/1.438955 · Cited by 17,772
Cited by
Simons, J. (2008) · The Journal of Physical Chemistry A · doi:10.1021/jp711490b · Cited by 417
CO Catalytic Oxidation on Copper-Embedded Graphene
Song, E. H., Wen, Z., & Jiang, Q. (2011) · The Journal of Physical Chemistry C · doi:10.1021/jp108978c · Cited by 355
Metadata
- Authors
- Kimble, M. L., Castleman, Mitrić, R., Bürgel, C., & Bonačić-Koutecký, V.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2004-02-10
- Volume
- 126
- Issue
- 8
- Pages
- 2526-2535
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2011147270
- Cited by
- 200
- References
- 1
- FWCI
- 10.83
- Type
- journal article
- Language
- en
- Open access
- closed
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