November 26, 2025Open Access

Dissecting the single-electron C–C bond: NBO and AIM perspectives

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Abstract

We present an electronic structure analysis, using AIM and NBO, of the oxidation product of the spiro-dibenzocycloheptatriene (1p), focusing on the interaction between the ipso carbon atoms (C1, C2), which indicates a C1–C2 non-covalent interaction.

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Authors

Leonardo I. Lugo‐Fuentes

Universidad de Guanajuato

Darien I. Martínez-Valencia

Universidad de Guanajuato

J. Óscar C. Jiménez‐Halla

Universidad de Guanajuato

Journals

Physical Chemistry Chemical Physics

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Institutions

Universidad Nacional Autónoma de México

Universidad de Guanajuato

Universidad Autónoma del Estado de México

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Dissecting the single-electron C–C bond: NBO and AIM perspectives

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Abstract

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Authors

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