Experimental and theoretical characterization of H(2)OOO(+) |
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| Authors: | Zhou Mingfei Zeng Aihua Wang Yun Kong Qingyu Wang Zhi-Xiang Schleyer Paul Van Rague |
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| Affiliation: | Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Department of Chemistry & Laser Chemistry Institute, Fudan University, Shanghai 200433, PR China. mfzhou@fudan.edu.cn |
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| Abstract: | This report presents the preparation and characterization of H2OOO+, an important intermediate in water-oxygen chemistry. The H2OOO+ cation was produced by co-deposition of H2O/Ar with radio frequency discharged O2/Ar at 4 K and was identified by four fundamental infrared absorptions. Quantum chemical calculations indicate a doublet ground state with a H2O-O2 hemi-bonded Cs structure. |
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