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Issue 86, 2020
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PtX as the limit of high oxidation states in oxide–nitride species

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Abstract

A series of pentaatomic species has been investigated theoretically with relativistic DFT using the M06-L functional with both ZORA scalar relativistic correction, and including spin–orbit coupling effects. The distorted quasi-octahedral local minima for PtNO3+, PtN2O2 and PtN3O corresponding to decavalent Pt were found to be unstable with respect to the elimination of O2, NO or N2. However, barriers surrounding these minima suggest that these species could be achieved under low-temperature conditions, similar to what was predicted for PtO42+ dications. Decavalent platinum sets the upper limit for high oxidation states of the chemical elements.

Graphical abstract: PtX as the limit of high oxidation states in oxide–nitride species

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Article information


Submitted
06 Aug 2020
Accepted
10 Sep 2020
First published
10 Sep 2020

Chem. Commun., 2020,56, 13137-13140
Article type
Communication

PtX as the limit of high oxidation states in oxide–nitride species

Ł. Wolański, M. A. Domański, W. Grochala and P. Szarek, Chem. Commun., 2020, 56, 13137
DOI: 10.1039/D0CC05361A

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