Electron Distribution in Partially Reduced Mixed Metal Oxide Systems: Infrared Spectroscopy of CemVnOo+ Gas-Phase Clusters

详细信息    查看全文

• 作者：Ling Jiang ; Torsten Wende ; Pieterjan Claes ; Soumen Bhattacharyya ; Marek Sierka ; Gerard Meijer ; Peter Lievens ; Joachim Sauer ; Knut R. Asmis
• 刊名：Journal of Physical Chemistry A
• 出版年：2011
• 出版时间：October 20, 2011
• 年：2011
• 卷：115
• 期：41
• 页码：11187-11192
• 全文大小：853K
• 年卷期：v.115,no.41(October 20, 2011)
• ISSN：1520-5215

文摘

Vibrational predissociation spectra of rare-gas-tagged [(CeO₂)(VO₂)_1鈥?]⁺ and [(Ce₂O₃)(VO₂)]⁺ clusters are measured in the 400鈥?200 cm^鈥? region. Density functional theory (DFT) is used to determine the geometric and electronic structure of low-energy isomers of the partially reduced clusters. Comparison of experimental and simulated spectra provides evidence for the larger stability of Ce⁺³/V⁺⁵ compared to that of Ce⁺⁴/V⁺⁴, which confirms that the exceptionally high reducibility of Ce⁺⁴ accounts for the promoting role of ceria in supported vanadium oxide catalysts.