PtX as the limit of high oxidation states in oxide–nitride species (This work commemorates 100th anniversary of the Polish Chemical Society.)

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 de...

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Veröffentlicht in:	Chemical communications (Cambridge, England) England), 2020-11, Vol.56 (86), p.13137-13140
Hauptverfasser:	Wolański, Łukasz, Domański, Mateusz A, Grochala, Wojciech, Szarek, Paweł
Format:	Artikel
Sprache:	eng
Schlagworte:	Cartesian coordinates Chemical bonds Chemical elements Coupling (molecular) Diagnostic systems Low temperature Oxidation Platinum Relativistic effects Relativistic theory Spin-orbit interactions
Online-Zugang:	Volltext
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