Abstract
Abstract Redox potentials of Sg in acid solutions as a function of pH are predicted. The work is based on earlier estimates of standard redox potentials via a correlation with multiple ionization potentials of group-6 elements calculated using a multiconfiguration Dirac–Fock method. As expected, most of the potentials, except for those from the M3+ to the M2+ and M (M = Cr, Mo, W and Sg) states, decrease with increasing pH, with the most pronounced effect for the M IV /M III couple. The obtained values show that the reduction of Sg to the IV and III states should be feasible in HCl solutions in a pH range from 0 to 3 or 4.
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