Gas-phase, conformer-specific infrared spectra of 3-chlorophenol and 3-fluorophenol.

ABSTRACT: Conformational isomerism of phenol derivatives has been a subject of extensive spectroscopic study. Combining the capabilities of the widely tuneable infrared free-electron laser FELIX with molecular beam technologies allows for revisiting existing data and gaining additional insights into far-IR spectroscopy of halogenated phenols. Here we present conformer-resolved infrared spectra of the syn and anti conformers of 3-chlorophenol and 3-fluorophenol recorded via IR-UV ion-dip spectroscopy. The experimental work is complemented by density functional theory calculations to aid in assignment of the observed bands. The experimental spectra for the two conformers of each molecule show overall a great similarity, but also include some distinct conformer-specific bands in th

SUBMITTER: Duda OA 

PROVIDER: S-EPMC11869563 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature