Investigation of the rotational spectrum of the hydrogen-bonded dimer CF2CH2⋯HCl

Abstract

Rotational spectra of three isotopic species of the hydrogen-bonded dimer formed between 1,1-difluoroethene and HCl have been obtained with pulsed-supersonic-nozzle Fourier-transform microwave spectroscopy. Analysis of the derived spectroscopic constants shows that the dimer is near planar with HCl bonded to fluorine via a ClH⋯F hydrogen bond and positioned cis to the vinyl group. There are also indications of a bent hydrogen bond and of participation of an interaction peripheral to the hydrogen bond in determining the geometry. Key structural features of the dimer are successfully predicted with the electrostatic model.