Electronic Structure of All-Metal Neutral M 4 (M = Al, Ga, In) Rings: Aromaticity and Spin-Avoided σ–σ Diradical Character

Key Points

• This research aims to explore the electronic structure and aromaticity of all-metal neutral M4 rings, specifically focusing on Al, Ga, and In.
• Analyzed the electronic structure using quantum chemical calculations.
• Investigated spin-avoided σ–σ diradical character in the M4 rings.
• Compared the stability and reactivity of the rings.
• All-metal M4 rings exhibit significant aromatic character.
• The σ–σ diradical character contributes to their electronic properties.
• Al, Ga, and In differ in stability and reactivity due to their electronic structure.