Angular group induced bond alternation (AGIBA). Part VI - Competition between the AGIBA and through resonance effects

Analysis of the molecular geometry of three experimental model compounds, 2 ,3-dimethyl-p-anisaldehyde, 2,5-dimethyl-p-anisaldoxiiiie and 2,3-dimethyl- p-anisaldoxime, and eight compounds (p-nitrosoaniline, p-nitroanisole and t wo 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 p resent, led to the conclusion that the competition between these effects do es not reduce any of them significantly. Copyright (C) 2001 John Wiley & So ns, Ltd.