Infrared Spectra of the (AgCO)2 and AgnCO (n = 2-4) Molecules in Rare-Gas Matrices
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- 作者：Ling Jiang ; Qiang Xu
- 刊名：Journal of Physical Chemistry A
- 出版年：2006
- 出版时间：October 12, 2006
- 年：2006
- 卷：110
- 期：40
- 页码：11488 - 11493
- 全文大小：107K
- 年卷期：v.110,no.40(October 12, 2006)
- ISSN：1520-5215
文摘
Reactions of laser-ablated silver atoms with carbon monoxide molecules in solid argon and neon have beeninvestigated using matrix-isolation IR spectroscopy. Small silver cluster carbonyls, (AgCO)2 and AgnCO(n = 2-4), as well as mononuclear silver carbonyls, Ag(CO)2 and Ag(CO)3, are generated upon sampleannealing in the argon experiments and are characterized on the basis of the isotopic substitution, the COconcentration change, and the comparison with theoretical predictions. However, these polynuclear carbonylsare absent from the neon experiments. Density functional theory calculations have been performed on thesesilver carbonyls and the corresponding ligand-free silver clusters, which support the identification of thesesilver carbonyls from the matrix IRspectrum. A terminal CO has been found in the most stable structures of(AgCO)2, Ag2CO, Ag3CO, and Ag4CO. Furthermore, a plausible reaction mechanism has been proposed toaccount for the formation of the (AgCO)2 and AgnCO (n = 2-4) molecules.