期刊
CHEMPHYSCHEM
卷 11, 期 4, 页码 865-869出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.200900910
关键词
computational chemistry; high oxidation states; iridium; spin-orbit coupling; transactinide
资金
- Fonds der Chemischen Industrie
- DFG
- Alexander von Humboldt Foundation
The highest known oxidation state of any element is +VIII. After the recent discovery of (IrO4)-O-VIII under cryogenic conditions, we have investigated the stability of cationic species [MO4](+) (M=Rh,Ir,Mt). Such compounds would formally represent the new oxidation state +IX, which is experimentally unknown so far for the whole periodic table. [IrO4](+) is predicted to be the most promising candidate. The calculated spin-orbit (SO) coupling shows only minor effects on the stability of the iridium species, whereas SO-coupling increases enormously for the corresponding Eka-Iridium (Meitnerium) complexes and destabilizes these.
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