Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands

The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm−1), which are observed using a tunable i...

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Veröffentlicht in:The Journal of chemical physics 2016-11, Vol.145 (17), p.174302-174302
Hauptverfasser: Norooz Oliaee, J., Dehghany, M., Rezaei, Mojtaba, McKellar, A. R. W., Moazzen-Ahmadi, N.
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container_end_page 174302
container_issue 17
container_start_page 174302
container_title The Journal of chemical physics
container_volume 145
creator Norooz Oliaee, J.
Dehghany, M.
Rezaei, Mojtaba
McKellar, A. R. W.
Moazzen-Ahmadi, N.
description The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm−1), which are observed using a tunable infrared laser to probe a pulsed supersonic slit jet expansion. With the help of a recent high level ab initio calculation by Wang, Carrington, and Dawes, four intermolecular frequencies are assigned: the in-plane disrotatory bend (22.26 cm−1); the out-of-plane torsion (23.24 cm−1); twice the disrotatory bend (31.51 cm−1); and the in-plane conrotatory bend (92.25 cm−1). The disrotatory bend and torsion, separated by only 0.98 cm−1, are strongly mixed by Coriolis interactions. The disrotatory bend overtone is well behaved, but the conrotatory bend is highly perturbed and could not be well fitted. The latter perturbations could be due to tunneling effects, which have not previously been observed experimentally for CO2 dimer. A fifth combination band, located 1.3 cm−1 below the conrotatory bend, remains unassigned.
doi_str_mv 10.1063/1.4966146
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subjects Carbon dioxide
Coriolis force
Dimers
Infrared lasers
Physics
Torsion
Tunable lasers
title Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands
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