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

Amit Das; Pankaj Thakuria; Ankur K. Guha

doi:10.1021/acs.jpca.6c01699

May 5, 2026The Journal of Physical Chemistry A

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

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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.

Implication

The study demonstrates aromaticity in all-metal M4 rings, indicating unique electronic properties.

Abstract

Aromaticity is deeply rooted in organic chemistry, underpinning the electronic structure, stability, and reactivity of planar conjugated rings. While all-metal aromaticity in Al

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Cite This Study

Das et al. (2026) studied this question.

synapsesocial.com/papers/69fc2c4b8b49bacb8b347dd5 https://doi.org/10.1021/acs.jpca.6c01699

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

Key Points

Implication

Abstract

Discussion

Cite This Study

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

Key Points

Implication

Abstract

Discussion

Cite This Study

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