Oxidation State 10 Exists |
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Authors: | Haoyu S Yu Prof Donald G Truhlar |
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Institution: | Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, MN, USA |
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Abstract: | In a recent paper, Wang et al. found an iridium‐containing compound with a formal oxidation state of 9. 5 This is the highest oxidation state ever found in a stable compound. To learn if this is the highest chemical oxidation state possible, Kohn–Sham density functional theory was used to study various compounds, including PdO42+, PtO42+, PtO3F22+, PtO4OH+, PtO5, and PtO4SH+, in which the metal has an oxidation state of 10. It was found that PtO42+ has a metastable state that is kinetically stable with a barrier height for decomposition of 31 kcal mol?1 and a calculated lifetime of 0.9 years. All other compounds studied would readily decompose to lower oxidation states. |
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Keywords: | density functional calculation formal oxidation state oxidation state platinum tetroxide dication |
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