title: Jet-cooled rotational spectrum of laser-ablated phenylalanine.
abstract: The rotational spectrum of neutral phenylalanine has been recorded for the first time using laser-ablation molecular-beam Fourier transform microwave spectroscopy (LA-MB-FTMW). Two conformers stabilized by conjugative O-H···N and N-H···π hydrogen bond interactions have been conclusively identified on the basis of experimental values of rotational and (14)N nuclear quadrupole coupling constants. The nonobservation of the rotational spectra of the other low-energy conformers has been attributed to the photofragmentation that takes place in the laser ablation process. Nuclear quadrupole coupling interactions have been used directly to determine the orientation of the amino group and to identify and experimentally characterize the N-H···π interactions.
authors.affiliation: Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Área de Química-Física, Parque Tecnológico, Campus Miguel Delibes, Universidad de Valladolid, 47005 Valladolid, Spain.
authors.forename: Cristóbal
authors.initials: C
authors.lastname: Pérez
authors.forename: Santiago
authors.initials: S
authors.lastname: Mata
authors.forename: Susana
authors.initials: S
authors.lastname: Blanco
authors.forename: Juan C
authors.initials: JC
authors.lastname: López
authors.forename: José L
authors.initials: JL
authors.lastname: Alonso
mesh_terms: D002627:Chemistry, Physical; D006860:Hydrogen Bonding; D007834:Lasers; D008958:Models, Molecular; D008968:Molecular Conformation; D010649:Phenylalanine / Q000737:chemistry*; D012399:Rotation; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013237:Stereoisomerism; D013816:Thermodynamics
chemical_list: D010649:Phenylalanine