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The two conformers of acetanilide unraveled using LA-MB-FTMW spectroscopy

2011; Elsevier BV; Volume: 268; Issue: 1-2 Linguagem: Inglês

10.1016/j.jms.2011.03.033

1096-083X

C. Cabezas, Marcelino Varela, Walther Camináti, Santiago Mata, Juan C. López, José L. Alonso,

Organic and Inorganic Chemical Reactions

Acetanilide has been investigated by laser ablation molecular beam Fourier transform microwave LA-MB-FTMW spectroscopy. The rotational spectrum of both trans and cis conformers have been analyzed to determine the rotational and 14N quadrupole coupling the constants. The spectrum of the less abundant cis conformer has been assigned for the first time. The doublets observed for this conformer have been interpreted in terms of the tunneling motion between two equivalent non-planar conformations through a small barrier in which the acetamide group and phenyl ring plane are perpendicular. The results are compared with those of the related formanilide.