title: Vibrational and vibronic spectra of tryptamine conformers.
abstract: Conformation-specific ionization-detected stimulated Raman spectra, including both Raman loss and Raman gain lines, along with visible-visible-ultraviolet hole-burning spectra of tryptamine (TRA) conformers have been measured simultaneously, with the aim of obtaining new data for identifying them. The slightly different orientations of the ethylamine side chain relative to the indole lead to unique spectral signatures, pointing to the presence of seven TRA conformers in the molecular beam. Comparison of ionization-loss stimulated Raman spectra to computationally scaled harmonic Raman spectra, especially in the alkyl C-H and amine N-H stretch regions together with the retrieved information on the stabilities of the TRA conformers assisted their characterization and structural identification. The prospects and limitations of using these spectroscopic methods as potential conformational probes of flexible molecules are discussed.
authors.affiliation: Department of Physics, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel.
authors.forename: Nitzan
authors.initials: N
authors.lastname: Mayorkas
authors.forename: Amir
authors.initials: A
authors.lastname: Bernat
authors.forename: Shay
authors.initials: S
authors.lastname: Izbitski
authors.forename: Ilana
authors.initials: I
authors.lastname: Bar
mesh_terms: D008968:Molecular Conformation; D011789:Quantum Theory; D013059:Spectrum Analysis, Raman; D014363:Tryptamines / Q000737:chemistry*; D014732:Vibration
chemical_list: D014363:Tryptamines; C030820:tryptamine