The geometrical structures, aromatic character, and oriented external electric field (OEEF) regulated superhalogen formation of the neutral and charged AuSc₂ clusters were explored by employing the density functional theory (DFT) calculations. The open-shell dual aromaticity involving the delocalization of d orbitals of transition metal atoms was evidenced in AuSc₂⁻. Additionally, the OEEF was demonstrated to possess the power in precisely and continuously regulating the electron affinity (EA) of AuSc₂, enabling the cluster to have the superhalogen characteristic. More interestingly, the transformation point between the non-superhalogen and superhalogen in AuSc₂ under OEEF can also be located based on the fitted curve.

利用密度泛函理论（DFT）计算，研究了中性和带电AuSc ₂团簇的几何结构，芳香特性和取向的外部电场（OEEF）调控的超卤素形成。涉及过渡金属原子的d轨道的离域的开壳层双芳香物证明在AuSc ₂ ^- 。此外，证明OEEF具有精确连续地调节AuSc ₂的电子亲和力（EA）的能力，使该簇具有超卤素特性。更有趣的是，也可以根据拟合曲线来确定OEEF下AuSc ₂中非超卤素和超卤素之间的转变点。