Russian Journal of Inorganic Chemistry 42(7):1167-1172 (1997) On Extremal Oxidation States of Heavy 5d Elements
Andrey I. Dement'ev, Maxim L. Kuznetsov, Yuriy M. Kiselev
Abstract
[size=0.875]The results of quantum-chemical ab initio pseudopotential calculations of tetraoxo ions of heavy transition 5d elements with the formal electronic configuration d0 are presented. The stability of these ions is estimated, and the parameters of the vibrational spectra of 〈MO4n±〉 groups (M = Ir, Pt, Au, and Hg) are calculated. Minima on the potential energy surfaces were found for some MO4n± ions with metals in unusually high oxidation states. Correlations between the redox potentials of MO4n±/M pairs and charge-transfer transitions in the electronic spectra of MO4n± ions are considered.