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 - Jan 1 2016 |
Fingerprint
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 journal › Article
}
TY - JOUR
T1 - Oxidation State 10 Exists
AU - Yu, Haoyu S.
AU - Truhlar, Donald G
PY - 2016/1/1
Y1 - 2016/1/1
N2 - 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.
AB - 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.
KW - density functional calculation
KW - formal oxidation state
KW - oxidation state
KW - platinum tetroxide dication
UR - http://www.scopus.com/inward/record.url?scp=84973541049&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84973541049&partnerID=8YFLogxK
U2 - 10.1002/anie.201604670
DO - 10.1002/anie.201604670
M3 - Article
C2 - 27273799
AN - SCOPUS:84973541049
VL - 55
SP - 9004
EP - 9006
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
SN - 1433-7851
IS - 31
ER -