Abstract

According to quantum-chemical calculations and IR spectra, the molecule of 1-vinyl-2-phenyl-5-trifluoroacetylpyrrole has two spectroscopically different rotational isomers. Both forms are characterized by a practically orthogonal position of the phenyl substituent and a substantially nonplanar position of the vinyl and trifluoroacetyl substituent s relative to the central pyrrole fragment. The unsubstituted 2-phenyl-5-trifluoroacetylpyrrole exists primarily in a single form with a planar position of the trifluoroacetyl substituent and an orthogonal position of the phenyl substituent.

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