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Oxidation State 10 Exists
Author(s) -
Yu Haoyu S.,
Truhlar Donald G.
Publication year - 2016
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201604670
Subject(s) - oxidation state , metastability , density functional theory , decomposition , chemistry , iridium , state (computer science) , metal , computational chemistry , catalysis , mathematics , organic chemistry , algorithm
In a recent paper, Wang et al. found an iridium‐containing compound with a formal oxidation state of 9.[5][G. Wang, 2014] 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 PdO 4 2+ , PtO 4 2+ , PtO 3 F 2 2+ , PtO 4 OH + , PtO 5 , and PtO 4 SH + , in which the metal has an oxidation state of 10. It was found that PtO 4 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.