Oxidation State 10 Exists

Haoyu S. Yu, Donald G Truhlar

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

In a recent paper, Wang et al. found an iridium-containing compound with a formal oxidation state of 9. 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−1and a calculated lifetime of 0.9 years. All other compounds studied would readily decompose to lower oxidation states.

Original languageEnglish (US)
Pages (from-to)9004-9006
Number of pages3
JournalAngewandte Chemie - International Edition
Volume55
Issue number31
DOIs
StatePublished - Jan 1 2016

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Oxidation
Iridium
Density functional theory
Metals
Decomposition

Keywords

  • density functional calculation
  • formal oxidation state
  • oxidation state
  • platinum tetroxide dication

Cite this

Oxidation State 10 Exists. / Yu, Haoyu S.; Truhlar, Donald G.

In: Angewandte Chemie - International Edition, Vol. 55, No. 31, 01.01.2016, p. 9004-9006.

Research output: Contribution to journalArticle

Yu, Haoyu S. ; Truhlar, Donald G. / Oxidation State 10 Exists. In: Angewandte Chemie - International Edition. 2016 ; Vol. 55, No. 31. pp. 9004-9006.
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