NITROSYL IODIDE, INO: MILLIMETER-WAVE SPECTROSCOPY GUIDED BY AB   INITIO   QUANTUM CHEMICAL COMPUTATION

Bailleux, Stephane

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https://hdl.handle.net/2142/79095 Copy

Description

Title

NITROSYL IODIDE, INO: MILLIMETER-WAVE SPECTROSCOPY GUIDED BY AB   INITIO   QUANTUM CHEMICAL COMPUTATION

Author(s)

Bailleux, Stephane

Contributor(s)

• Ozeki, Hiroyuki
• Aiba, Shohei
• Duflot, Denis

Issue Date

26-Jun-15

Keyword(s)

Atmospheric science

Abstract

In the series of the nitrosyl halides, $X$NO (where $X$ = {F, Cl, Br, I}), the millimeter-wave spectrum of INO remains so far unknown. We report our investigation on the first high-resolution rotational spectroscopy of nitrosyl iodide, INO.\ One of the motivation for this work comes from the growing need in developing a more complete understanding of atmospheric chemistry, especially halogen and nitrogen oxides chemistry that adversely impacts ozone levels. In the family of the nitrogen oxyhalides such as nitrosyl ($X$NO), nitryl ($X$NO), nitrite ($X$ONO), and nitrate ($X$ON0$_2$) halides, those with $X$ = {F, Cl, Br} have been well studied, both theoretically and experimentally. However, relatively little is known about the iodine-containing analogues, although they also are of potential importance in tropospheric chemistry. In 1991, the Fourier-transform IR spectroscopic detection of INO, chem{INO_2} and chem{IONO_2} in the gas phase has been reportedfootnote{I. Barnes, K. H. Becker and J. Starcke, J. Phys. Chem. 1991, 95, 9736-9740.}.\ The INO molecule was generated by $in$ $situ$ mixing continuously I$_2$ and NO in a 50-cm long reaction glass tube whose outlet was connected to the absorption cell using a teflon tube. At the time of writing this abstract, 68 $mu_a$-type transitions ($K_a = 0-10$), all weak, have been successfully assigned. The hyperfine structures due to both I and N nuclei will also be presented.\ S.B. and D.D. acknowledge support from the Laboratoire d�Excellence CaPPA (Chemical and Physical Properties of the Atmosphere) through contract ANR-10-LABX-005 of the Programme d�Investissement d�Avenir.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79095

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