Oxidation State 10 Exists

Haoyu S. Yu, Donald G Truhlar

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

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 - Jul 25 2016

Bibliographical note

Funding Information:
We thank C. Cramer, W. Gladfelter, D. Leopold, and I. Tonks for feedback on the manuscript. This work was supported as part of the Inorganometallic Catalyst Design Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award DE-SC0012702.

Publisher Copyright:
© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Keywords

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

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