Weakly Bound Clusters Of Atmospheric Molecules: Infrared Spectra And Structural Calculations Of (co2)n-(co)m-(n2)p, (n,m,p) = (2,1,0), (2,0,1), (1,2,0), (1,0,2), (1,1,1), (1,3,0), (1,0,3), (1,2,1), (1,1,2)

Barclay, A. J.

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https://hdl.handle.net/2142/116916 Copy

Description

Title

Weakly Bound Clusters Of Atmospheric Molecules: Infrared Spectra And Structural Calculations Of (co2)n-(co)m-(n2)p, (n,m,p) = (2,1,0), (2,0,1), (1,2,0), (1,0,2), (1,1,1), (1,3,0), (1,0,3), (1,2,1), (1,1,2)

Author(s)

Barclay, A. J.

Contributor(s)

• Moazzen-Ahmadi, Nasser
• Pietropolli Charmet, Andrea
• McKellar, A.R.W.

Issue Date

2022-06-22

Keyword(s)

Clusters/Complexes

Abstract

Structural calculations and high-resolution infrared spectra are reported for trimers and tetramers containing CO$_{2}$ together with CO and/or N$_{2}$. Among the 9 clusters studied here, only (CO$_{2}$)$_{2}$-CO was previously observed by high-resolution spectroscopy. The spectra, which occur in the region of the \nub{3} fundamental of CO$_{2}$ (\~{}2350 \wn), were recorded using a tunable optical parametric oscillator source to probe a pulsed supersonic slit jet expansion. The trimers (CO$_{2}$)$_{2}$-CO and (CO$_{2}$)$_{2}$-N$_{2}$ have structures in which the CO or N$_{2}$ is aligned along the symmetry axis of a staggered side-by-side CO$_{2}$ dimer unit. The observation of two fundamental bands for (CO$_{2}$)$_{2}$-CO and (CO$_{2}$)$_{2}$-N$_{2}$ shows that this CO$_{2}$ dimer unit is non-planar, unlike (CO$_{2}$)$_{2}$ itself. For the trimers CO$_{2}$-(CO)$_{2}$ and CO$_{2}$-(N$_{2}$)$_{2}$, the CO or N$_{2}$ monomers occupy equivalent positions in the ‘equatorial plane’ of the CO$_{2}$, pointing toward its C atom. To form the tetramers CO$_{2}$-(CO)$_{3}$ and CO$_{2}$-(N$_{2}$)$_{3}$, a third CO or N$_{2}$ monomer is then added off to the ‘side’ of the first two. In the mixed tetramers CO$_{2}$-(CO)$_{2}$-N$_{2}$ and CO$_{2}$-CO-(N$_{2}$)$_{2}$, this ‘side’ position is taken by N$_{2}$ and not CO. In addition to the fundamental bands, combination bands are also observed for (CO$_{2}$)$_{2}$-CO, CO$_{2}$-(CO)$_{2}$, and CO$_{2}$-(N$_{2}$)$_{2}$, yielding some information about their low-frequency intermolecular vibrations.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116916

DOI

https://doi.org/10.15278/isms.2022.WD06

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Copyright 2022 held by the authors

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