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How Far Can We Go? Quantum‐Chemical Investigations of Oxidation State +IX
Author(s) -
Himmel Daniel,
Knapp Carsten,
Patzschke Michael,
Riedel Sebastian
Publication year - 2010
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200900910
Subject(s) - iridium , oxidation state , cationic polymerization , chemistry , quantum chemical , chemical stability , coupling (piping) , chemical physics , computational chemistry , molecule , metal , materials science , catalysis , polymer chemistry , organic chemistry , metallurgy
Abstract The highest known oxidation state of any element is +VIII. After the recent discovery of Ir VIII O 4 under cryogenic conditions, we have investigated the stability of cationic species [MO 4 ] + (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. [IrO 4 ] + 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.