N₂o-ar And N₂o-kr: Symmetry Breaking Of Intramolecular Bending Mode Of N₂o In The Presence Of A Rare Gas

Dehghany, M.

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https://hdl.handle.net/2142/111333 Copy

Description

Title

N₂o-ar And N₂o-kr: Symmetry Breaking Of Intramolecular Bending Mode Of N₂o In The Presence Of A Rare Gas

Author(s)

Dehghany, M.

Contributor(s)

• Moazzen-Ahmadi, Nasser
• McKellar, A.R.W.
• Barclay, A.J.
• Gergess, Chris

Issue Date

2021-06-24

Keyword(s)

Non-covalent interactions

Abstract

Rotationally-resolved infrared spectra of the bending modes of N$_{2}$O-Ar and N$_{2}$O-Kr van der Waals clusters have been studied in the region of the N$_{2}$O \nub{1} fundamental vibration ($\approx$ 2224 \wn), using a tunable quantum cascade laser source to probe complexes generated in pulsed supersonic jet expansion. The assigned vibrational transitions are hot bands (1, 1$^{1}$, 0)$\leftarrow$ (0, 1$^{1}$, 0) observed under supersonic conditions. In the presence of Argon/Krypton atom, the doubly-degenerate \nub{2} bending mode of the N$_{2}$O monomer splits to two modes, in-plane and out-of-plane of the complex, with A$^{\prime}$ and A$^{\prime}$$^{\prime}$ symmetry, respectively. These two infrared bands are heavily linked by Coriolis interaction. Analysis of the two bands for N$_{2}$O-Ar, located about 2209.8 \wn with a splitting of $\sim$0.1 \wn between the in-plane and out-of-plane intramolecular bending modes, yields experimental values $\xi$$_{a}$= 0.04215and $\xi$$_{b}$ =0.13646 for a- and b-type Coriolis interaction parameters for the lower state. For the N$_{2}$O-Kr, these values are found to be $\xi$$_{a}$= 0.04205 and $\xi$$_{b}$ =0.09212. The two bands for this complex are located about 2209.5 \wn and with a splitting of $\sim$0.4 \wn. Contrary to CO$_{2}$ containing complexes, the sign of splitting cannot be determined. This is due to lower symmetry of the N$_{2}$O-rare gas complexes. Coriolis interaction parameters found in these analyses, along with that of the previously-reported bands for CO$_{2}$-Ar\footnote{T.A. Gartner, A.J. Barclay, A.R.W. McKellar, and N. Moazzen-Ahmadi, Phys. Chem. Chem. Phys. 22, 21488-21493 (2020).} and CO$_{2}$-N$_{2}$\footnote{A.J. Barclay, A.R.W. McKellar, and N. Moazzen-Ahmadi, J. Chem. Phys. 153, 014303 (2020).} complexes, offer important information for testing the accuracy of theoretical calculation toward a better understanding of intermolecular interactions.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111333

DOI

10.15278/isms.2021.RD02

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