Adsorption of C2H Radical on Cobalt Clusters: Anion Photoelectron Spectroscopy and Density Functional Calculations

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• 作者：Jinyun Yuan ; Hong-Guang Xu ; Zeng-Guang Zhang ; Yuan Feng ; Weijun Zheng
• 刊名：Journal of Physical Chemistry A
• 出版年：2011
• 出版时间：January 20, 2011
• 年：2011
• 卷：115
• 期：2
• 页码：182-186
• 全文大小：245K
• 年卷期：v.115,no.2(January 20, 2011)
• ISSN：1520-5215

文摘

We investigated the adsorption of C₂H radical on small cobalt clusters by mass spectrometry and by measuring the photoelectron spectra of Co_nC₂H^{鈭?/sup> (n = 1鈭?) cluster anions. The most stable structures of Co_nC₂H鈭?/sup> (n = 1鈭?) and their neutrals were determined by comparing the experimental results with theoretical calculations. Our studies show that C₂H radical still maintains its integrity as a structural unit in Co_nC₂H鈭?/sup> clusters, rather than being divided by Co_n clusters. The most stable isomers of Co_1鈭?C₂H鈭?/sup> clusters are linear with the C₂H interacting with only one Co atom, while those of Co_3鈭?C₂H鈭?/sup> cluster anions are quasi-planar structures with the carbon鈭抍arbon bonds bending slightly toward the Co_3鈭? clusters. The carbon鈭抍arbon bond of C₂H is lengthened more in Co_3鈭?C₂H鈭?/sup> clusters than in Co_1鈭?C₂H鈭?/sup>.}