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Abstract
The comparative stability of oxohydroxoruthenium(VI) and oxohydroxoosmium(VI) anions with different coordination numbers has been calculated by the relativistic density functional theory method with inclusion of spin-orbit coupling. In line with experimental data, the computations point to the stability of the ruthenium complex RuO3(OH) 2 2− − with CN = 5, whereas osmium is stabilized in a six-coordinate environment (OsO2(OH) 4 2− ). The spin state of the stable Ru complex is close to triplet and that of the Os complex, to singlet.
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