AnB8−: borozene complexes with monovalent actinide

Abstract

In light of recently reported monovalent lanthanide in borozene complexes LnB₈⁻ (Ln = La, Pr, Tb, Tm, Yb), the corresponding AnB₈⁻ (An = Ac, Pa, Bk, Md, No) actinide species within the same group were theoretically investigated in respect of oxidation state, stability, electronic structure and chemical bonding pattern. Our investigations reveal the feasibility of actinides, especially for the late actinide borozene compounds (BkB₈⁻, MdB₈⁻, NoB₈⁻) adopting a monovalent oxidation state of +I, a phenomenon fine-tuned by the doubly aromatic borozene B₈²⁻. Early actinides (AcB₈⁻, PaB₈⁻) however exhibit a tendency towards higher trivalent oxidation states.