  The possibility of Group 12 elements, such as Zn, Cd, and Hg existing in an
oxidation state of +III or higher and hence transforming them into transition
metals has fascinated chemists for decades. It took nearly 20 years before
experiment could confirm the theoretical prediction that Hg indeed can exist in
an oxidation state of +IV. While this unusual property of Hg is attributed to
the relativistic effects, Zn being much lighter than Hg has not been expected
to have an oxidation state higher than +II. Using density functional theory we
show that an oxidation state of +III for Zn can be realized by choosing
specific ligands with large electron affinities. We demonstrate this by a
systematic study of the interaction of Zn with F, BO2, and AuF6 ligands whose
electron affinities are progressively higher, namely, 3.4 eV, 4.5 eV, and 8.6
eV, respectively. Discovery of higher oxidation states of elements can help in
the formulation of new reactions and hence in the development of new chemistry.
