Projects per year
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 language | English (US) |
---|---|
Pages (from-to) | 9004-9006 |
Number of pages | 3 |
Journal | Angewandte Chemie - International Edition |
Volume | 55 |
Issue number | 31 |
DOIs | |
State | Published - Jul 25 2016 |
Bibliographical note
Publisher Copyright:© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Keywords
- density functional calculation
- formal oxidation state
- oxidation state
- platinum tetroxide dication
Fingerprint
Dive into the research topics of 'Oxidation State 10 Exists'. Together they form a unique fingerprint.Projects
- 1 Finished
-
Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)
Gagliardi, L. (PI), Cramer, C. (CoI), Lu, C. C. (CoI), Penn, L. (CoI), Stein, A. (CoI) & Truhlar, D. G. (CoI)
U.S. DEPARTMENT OF ENERGY (USDOE)
8/1/14 → 7/31/18
Project: Research project