ROTATIONAL SPECTRUM OF CIS-CIS HOONO
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Date
2004
Journal Title
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Volume Title
Publisher
Ohio State University
Abstract
The pure rotational spectrum of cis-cis peroxynitrous acid, HOONO, has been observed for the first time. Over 220 transitions, sampling states up to $J^{\prime} = 67$ and $K^{\prime}_{a} = 31$, have been fitted with an RMS uncertainty of 48.4 kHz. The experimentally determined rotational constants agree well with ab initio values for the cis-cis conformer, a five-membered ring formed by intramolecular hydrogen bonding. The small, positive inertial defect, $\Delta = 0.075667(60)$ amu ${\AA}^{2}$, and lack of any observable torsional splittings in the spectrum indicate that cis-cis HOONO exists in a well-defined planar structure at room temperature. Analysis of the rotational spectrum of the deuterated isotopologue, DOONO, confirms the planar molecular structure and yields substitution coordinates for the hydrogen atom.
Description
Author Institution: Jet Propulsion Laboratory, California Institute of Technology; Department of Chemistry, California Institute of Technology