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Abstract
The conformations of benzylideneaniline and two tautomers of salicylideneaniline have been calculated using the AM1 method. The calculated geometries agree favorably with those derived from other structure determinations. The dihedral angles of the C-and N-substituted phenyl rings in benzylideneaniline are 33.9° and 6.0° respectively. The corresponding dihedral angles in salicylideneaniline are 33.3° and 2.7°. Rotational energy barriers of the phenyl rings in benzylideneaniline appear to be underestimated by the AM1 approach by a factor of approximately 2.