First Observations Of The Hono · H2o Complex With Microwave Spectroscopy

Koziol, Kenneth J.

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https://hdl.handle.net/2142/116778 Copy

Description

Title

First Observations Of The Hono · H2o Complex With Microwave Spectroscopy

Author(s)

Koziol, Kenneth J.

Contributor(s)

• Francisco, Joseph S.
• Trabelsi, Tarek
• Kleiner, Isabelle
• SCHWELL, Martin
• Khemissi, Safa
• Nguyen, Ha Vinh Lam

Issue Date

2022-06-24

Keyword(s)

Mini-symposium: Benchmarking in Spectroscopy

Abstract

The impact of gaseous nitrous acid (HONO) in atmospheric chemistry is well described, being a major source of OH radicals acting as a strong oxidant\footnote{N. A. Saliba et. al. \textit{Geophys. Res. Lett.} \textbf{27}, 3229-3232, (2000)}. In standard conditions, HONO is in equilibrium with various nitrous oxides under rapid decomposition at daytime. However, results by Lammel and Cape describe a steady production of OH radicals by HONO in the atmosphere whose source might be the complex of HONO with water\footnote{G. Lammel, J. N. Cape, \textit{Chem. Soc. Rev.} \textbf{25}, 361-369, (1996)}. Recent experiments have revealed that HONO remains stable in an aqeous environment as the HONO $\cdot$ H$_2$O complex, supporting studies of its greater stability in environments with higher humidity\footnote{D. Perner, U. Platt, \textit{Geophys. Res. Lett.} \textbf{6}, 917-920, (1979)}. In the present work, gaseous HONO $\cdot$ H$_2$O was generated in a laboratory scale and investigated with two molecular jet Fourier transform microwave spectrometers operating from 2 to 40 GHz. To guide the experimental observation, geometry optimizations were performed to obtain rotational constants using the standard coupled-cluster theory with single and double excitations. The HONO $\cdot$ H$_2$O spectrum has been assigned with the $^{14}$N quadrupole coupling taken into account. Further splittings by the ortho-hydrogens, resulting from spin-spin coupling interactions, could be fully resolved. Comparing the results to those of the dimethylamine-water complex\footnote{M. J. Tubergen, R. L. Kuczkowski, \textit{J. Mol. Struct.} \textbf{352/353}, 335-344, (1994)} confirmed an absence of the water tunnelling motion.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116778&&

DOI

https://doi.org/10.15278/isms.2022.FB02

Copyright and License Information

Copyright 2022 held by the authors

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