Nuclear quadrupole coupling interactions in the rotational spectrum of tryptamine |
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Authors: | JL Alonso V Cortijo S Mata C Pérez C Cabezas JC López W Caminati |
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Institution: | Grupo de Espectroscopía Molecular (GEM) Edificio Quifima, Área Química Física, Campus Miguel Delibes, Parque Científico, Universidad de Valladolid, E-47005 Valladolid, Spain |
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Abstract: | Four conformers of tryptamine have been detected in a supersonic expansion and characterized by laser ablation molecular beam Fourier transform microwave spectroscopy LA-MB-FTMW in the 5–10 GHz frequency range. The quadrupole hyperfine structure originated by two 14N nuclei has been completely resolved for all conformers and used for their unambiguous identification. Nuclear quadrupole coupling constants of the nitrogen atom of the side chain have been used to determine the orientation of the amino group involved in N–H?π interactions: to the π electronic system of the pyrrole unit in the Gauche-Pyrrole conformers (GPy) or to the phenyl unit in the Gauche-Phenyl ones. |
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Keywords: | Tryptamine Rotational spectroscopy Nuclear quadrupole coupling interactions Conformation Molecular structure |
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