title: Aminophenol isomers unraveled by conformer-specific far-IR action spectroscopy.
abstract: Spectroscopic studies of molecular structure can strongly benefit from extending the conventional mid-IR range to the far-IR and THz regions, as low-frequency molecular vibrations provide unique fingerprints and high sensitivity to intra- and intermolecular interactions. In this work, the gas-phase conformer specific far-IR spectra of aminophenol isomers, recorded in the spectral range of 220-800 cm(-1) at the free-electron laser laboratory FELIX in Nijmegen (the Netherlands), are reported. Many distinct far-IR vibrational signatures which are specific for the molecular structure of the different aminophenol isomers are revealed and assigned. The observed far-IR transitions of the NH2 wagging (inversion) motion have been treated with a double-minimum harmonic well potential model that has enabled us to obtain the inversion barrier values. Moreover, we discuss the limitations and capability of conventional DFT frequency calculations to describe the far-IR vibrational modes.
authors: University of Gothenburg, Department of Physics, 412 96 Gotheburg, Sweden. vitali.zhaunerchyk@physics.gu.se and Radboud University, Institute for Molecules and Materials, FELIX Laboratory, Toernoovield 7-c, 6525 ED Nijmegen, The Netherlands. a.rijs@science.ru.nl.
authors: Vasyl
authors: V
authors: Yatsyna
authors: Radboud University, Institute for Molecules and Materials, FELIX Laboratory, Toernoovield 7-c, 6525 ED Nijmegen, The Netherlands. a.rijs@science.ru.nl.
authors: Daniël J
authors: DJ
authors: Bakker
authors: University of Gothenburg, Department of Physics, 412 96 Gotheburg, Sweden. vitali.zhaunerchyk@physics.gu.se.
authors: Raimund
authors: R
authors: Feifel
authors: Radboud University, Institute for Molecules and Materials, FELIX Laboratory, Toernoovield 7-c, 6525 ED Nijmegen, The Netherlands. a.rijs@science.ru.nl.
authors: Anouk M
authors: AM
authors: Rijs
authors: University of Gothenburg, Department of Physics, 412 96 Gotheburg, Sweden. vitali.zhaunerchyk@physics.gu.se.
authors: Vitali
authors: V
authors: Zhaunerchyk