Low temperature jet spectra of (DFE)2, DFE-He, DFE-He2 and DFE in the 2210-3105 cm-1 region (DFE = 1,1 difluoroethylene)

TL;DR

This study presents high-resolution infrared spectra of DFE and its complexes with helium, revealing structural details, tunneling effects, and vibrational characteristics in the 2210-3105 cm-1 region.

Contribution

First high-resolution spectra of DFE and its helium complexes in this vibrational region, providing insights into their structures and tunneling phenomena.

Findings

DFE dimer has a slipped antiparallel structure with minimal dipole moment.

He atom tunneling causes line splittings in DFE-He spectra.

23 vibrational bands of DFE observed between 2210 and 3105 cm-1.

Abstract

A pulsed supersonic slit jet expansion of a dilute mixture of 1,1 difluoroethylene (DFE) in helium is probed using a tunable infrared source to obtain spectra of (DFE)2, DFE-He, and DFE-He2. The DFE dimer is found to have a slipped antiparallel structure with two-fold rotational symmetry and little or no dipole moment (explaining why no pure rotational spectrum has been observed). The separation of the monomer centers of mass is 3.44 {\AA}. The spectra of DFE-He show line splittings due to tunneling of the He atom from one side of the DFE plane to the other. Rotational analysis of the DFE-He tunneling components in terms of a conventional asymmetric rotor yields small systematic errors due to the presence of large amplitude motions. A relatively weak spectrum is analyzed for one band of DFE-He2, whose structure places the two He atoms in equivalent positions on each side of DFE, very close to the location of He in DFE-He. Extensive spectra of DFE monomer were also obtained while searching for the cluster bands. A total of 23 bands from 2210 to 3105 cm-1 were observed. These are the first such high resolution results in this region, and they are of special interest because DFE has been a prototype for the study of vibrational anharmonicity and resonances