Low temperature jet spectra of (DFE)<sub>2</sub>, DFE-He, DFE-He2 and DFE in the 2210–3105 cm<sup>−1</sup> region (DFE = 1,1 difluoroethylene)

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)<sub>2</sub>, DFE-He, and DFE-He<sub>2</sub>. 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). An experimental value of 3.44 Å is determined for the separation of the monomer centers of mass. 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-He<sub>2</sub>, whose structure places the two He atoms in equivalent positions on each side of DFE, very close the location of He in DFE-He. Extensive spectra of DFE monomer are also obtained while searching for the cluster bands. A total of 23 bands from 2210 to 3105 cm<sup>-1</sup> are 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.

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Publication Details

Journal
Physical Chemistry Chemical Physics
Published
2025-01-01
DOI
https://doi.org/10.1039/d5cp02624e
Primary Topic
Molecular Spectroscopy and Structure
Type
article
Field-Weighted Citation Impact
0.00

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article

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

Andrea Pietropolli Charmet, A J Barclay, N. Moazzen‐Ahmadi, A. R. W. McKellar
Physical Chemistry Chemical Physics
Molecular Spectroscopy and Structure
article

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

Andrea Pietropolli Charmet, A J Barclay, N. Moazzen‐Ahmadi, A. R. W. McKellar
article en

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)<sub>2</sub>, DFE-He, and DFE-He<sub>2</sub>. 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). An experimental value of 3.44 Å is determined for the separation of the monomer centers of mass. 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-He<sub>2</sub>, whose structure places the two He atoms in equivalent positions on each side of DFE, very close the location of He in DFE-He. Extensive spectra of DFE monomer are also obtained while searching for the cluster bands. A total of 23 bands from 2210 to 3105 cm<sup>-1</sup> are 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.

Physical Chemistry Chemical PhysicsVol. 27(35)
Ca' Foscari University of Venice (IT), University of Calgary (CA), Université Bourgogne Franche-Comté (FR), National Research Council Canada (CA)
Natural Sciences and Engineering Research Council of Canada
Openalex Percentile: Top 82%
Molecular Spectroscopy and Structure
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