Unveiling the regioselectivity in electrophilic aromatic substitution reactions of deactivated benzenes through molecular electron density theory

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Regioselectivity in electrophilic aromatic substitution reactions of deactivated benzenes is driven by slight polarization of electron density and weak repulsive interactions along the ortho approach mode. Novelty: ClaimNovelty.NOVEL_FINDING. Consensus alignment: ConsensusAlignment.NEUTRAL.

Luís R. Domingo; Mar Ríos‐Gutiérrez; M. José Aurell

doi:10.1039/d1nj02435c

January 1, 2021New Journal of Chemistry

Unveiling the regioselectivity in electrophilic aromatic substitution reactions of deactivated benzenes through molecular electron density theory

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Abstract

Regioselectivity results from the slight polarization of the electron density and weak repulsive interactions appearing along theorthoapproach mode.

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Domingo et al. (2021) studied this question.

synapsesocial.com/papers/6a0c7aa495872b300be8bea8 https://doi.org/10.1039/d1nj02435c

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Unveiling the regioselectivity in electrophilic aromatic substitution reactions of deactivated benzenes through molecular electron density theory

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Abstract

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Unveiling the regioselectivity in electrophilic aromatic substitution reactions of deactivated benzenes through molecular electron density theory

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Abstract

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