Conformations and laser-induced fluorescence spectroscopy of jet-cooled 2-(p-fluorophenyl)ethanol

Abstract

Vibronically-resolved S₁–S₀ electronic spectra of 2-(p-fluorophenyl)ethanol have been studied by use of laser-induced fluorescence excitation and dispersed fluorescence spectroscopic methods in a supersonic free jet expansion. Two conformational isomers of the molecule are identified, and with the aid of the predictions of quantum chemistry calculations these are assigned to gauche and anti conformers. The assignments are corroborated by analyzing the vibronic features in the dispersed fluorescence spectra of the two conformers and their TDDFT predicted electronic transition energies. Energetic and spectral features of the conformers are compared with those of the parent molecule 2-phenylethanol.