Identification of isomeric dimers of o-fluorobenzoic acid using laser-induced fluorescence spectroscopy

Abstract

Three conformational isomers of o-fluorobenzoic acid dimer have been identified in a supersonic jet expansion by use of laser-induced fluorescence excitation and dispersed fluorescence spectroscopy. Using a mixed dimer of o-fluorobenzoic acid with benzoic acid, we have provided further evidence that the three isomers in the previous case originate due to two distinct internal rotational isomeric forms of each of the dimer moiety. Relative stability and geometries of all the dimers are computed by use of DFT theoretical method. The resolved fluorescence spectra of the three isomeric homodimers have been tentatively assigned by correlating the observed frequencies with the normal mode frequencies of the isomers predicted by DFT calculation.