4.5 Article

How Far Can We Go? Quantum-Chemical Investigations of Oxidation State plus IX

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

  1. Fonds der Chemischen Industrie
  2. DFG
  3. Alexander von Humboldt Foundation

向作者/读者索取更多资源

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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