Abstract

AbstractAnalysis of the molecular geometry of three experimental model compounds, 2,3‐dimethyl‐p‐anisaldehyde, 2,5‐dimethyl‐p‐anisaldoxime and 2,3‐dimethyl‐p‐anisaldoxime, and eight compounds (p‐nitrosoaniline, p‐nitroanisole and two conformers each of p‐nitrosoanisole, p‐anisaldehyde and p‐anisaldimide) whose molecular geometry was obtained by optimization at the B3LYP/6–311G** level of theory, where both the AGIBA and through resonance effects were present, led to the conclusion that the competition between these effects does not reduce any of them significantly. Copyright © 2001 John Wiley & Sons, Ltd.

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