title: Rotational spectrum of paracetamol.
abstract: In this paper we report the first rotational spectrum of isolated paracetamol. Solid samples of paracetamol were vaporized by laser ablation, expanded in a supersonic jet and characterized by Fourier transform microwave spectroscopy in the 4-10 GHz frequency range. The spectra of a total of four conformers, two with a trans peptidic -CO-NH- functional group arrangement and two with a cis peptidic group arrangement have been observed for the first time. The identification of all the conformers was based on the comparison of the experimental rotational and (14)N quadrupole coupling constants with those predicted by ab initio calculations, and relative values of their electrical dipole moment components.
authors.affiliation: Grupo de Espectroscopia Molecular (GEM), Unidad Asociada CSIC, Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Universidad de Valladolid , 47005 Valladolid, Spain.
authors.forename: Marcelino
authors.initials: M
authors.lastname: Varela
authors.forename: Carlos
authors.initials: C
authors.lastname: Cabezas
authors.forename: Juan C
authors.initials: JC
authors.lastname: López
authors.forename: José Luis
authors.initials: JL
authors.lastname: Alonso
mesh_terms: D000082:Acetaminophen / Q000737:chemistry*; D005583:Fourier Analysis; D008872:Microwaves; D008958:Models, Molecular; D008968:Molecular Conformation; D012399:Rotation; D013057:Spectrum Analysis
chemical_list: D000082:Acetaminophen