G3XMP2 investigation of amine inversion dynamics of meta and ortho aniline have been studied extensively in this report. It reveals that ortho substituent decreases the inversion barrier by proximity electrical effects. Electronegative substituent at the ortho position forms strong intramolecular hydrogen bond with the amine group and promotes planar configuration. However, electron donating substituent increases the inversion barrier due to steric effects and causes non-planar configuration. Meta substituent alters the amine configuration based on the inductive effects. Electronegative substituents present in meta aniline derivative induces planar amine configuration by negative inductive effects.
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