Formation and Infrared Spectroscopic Characterization of Three Oxygen-Rich BiO4 Isomers in Solid Argon

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• 作者：Caixia Wang ; Mohua Chen ; Zhen Hua Li ; Mingfei Zhou
• 刊名：Journal of Physical Chemistry A
• 出版年：2013
• 出版时间：November 7, 2013
• 年：2013
• 卷：117
• 期：44
• 页码：11217-11224
• 全文大小：347K
• 年卷期：v.117,no.44(November 7, 2013)
• ISSN：1520-5215

文摘

The reactions of bismuth atoms and O₂ have been investigated using matrix isolation infrared spectroscopy and density functional theory calculations. The ground state bismuth atoms react with dioxygen to form the BiOO and Bi(O₂)₂ complexes spontaneously on annealing. The BiOO molecule is characterized to be an end-on bonded superoxide complex, while the Bi(O₂)₂ molecule is characterized to be a superoxo bismuth peroxide complex, [Bi³⁺(O₂^{鈥?/sup>)(O₂2-)]. Under UV鈥搗isible light irradiation, the Bi(O₂)₂ complex rearranges to the more stable OBiOOO isomer, an end-on bonded bismuth monoxide-ozonide complex. The end-on-bonded OBiOOO complex further rearranges to a more stable side-on bonded OBiO₃ isomer upon sample annealing. In addition, the bent bismuth dioxide anion is also formed and assigned.}