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January 1, 2026Chemical ScienceOpen Access

Deciphering the molecular origin of the 19.3 eV electronic excitation energy of H ₃ ⁺

Josene M. Toldo Jakob K. Staab Eduard Matito Cina Foroutan-Nejad Henrik Ottosson

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Key Points

The study aims to investigate the molecular origin of the 19.3 eV electronic excitation energy in the trihydrogen cation, H3+.
Theoretical analysis of molecular properties
Examination of electronic excitation states
Investigation of antiaromatic characteristics
Identified that antiaromatic destabilization occurs in the lowest excited states
Determined the significance of this phenomenon in H3+
Concluded that unique properties of H3+ arise from its electronic structure

Implication

Research uncovers the unique molecular origin of electronic excitation energy in H3+, indicating its antiaromatic properties.

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Cite This Study

Toldo et al. (2026) studied this question.

synapsesocial.com/papers/6971be10642b1836717e2b17 https://doi.org/10.1039/d5sc09067a

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