Oxidation State 10 Exists. (8th June 2016)

• Record Type: Journal Article
• Authors: Yu, Haoyu S.; Truhlar, Donald G.
• Is Part Of: Angewandte Chemie. Volume 128:Number 31(2016)
• Page Start: 9150
• Page End: 9152
• Publication Date: 2016-06-08
• Subjects: Dichtefunktionalrechungen -- Formale Oxidationsstufen -- Oxidationsstufen -- Platintetroxid-Dikation; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201604670
• Languages: English
• ISSNs: 0044-8249

Abstract

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 PdO4 2+, PtO4 2+, PtO3 F2 2+, PtO4 OH +, PtO5, and PtO4 SH +, in which the metal has an oxidation state of 10. It was found that PtO4 2+ 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.