Dual σ-Antiaromaticity and π-Aromaticity in Planar In ₃ O – Cluster: Electronic Origin and Charge-Driven Structural Regulation

a closed-shell singlet ground state and high stability. Electron detachment induces selective structural changes (In-In elongation 3.12→3.28 Å, In-O contraction ∼0.015 Å) with moderate aromaticity modulation. This work demonstrates charge state as an effective modulator of bonding and aromaticity in In-based clusters, providing fundamental insights for designing tunable Group 13 oxide nanomaterials.