Rotational spectrum of cis-cis HOONO

Brian J Drouin; Juliane L Fry; Charles E Miller

doi:10.1063/1.1687311

Rotational spectrum of cis-cis HOONO

J Chem Phys. 2004 Mar 22;120(12):5505-8. doi: 10.1063/1.1687311.

Authors

Brian J Drouin¹, Juliane L Fry, Charles E Miller

Affiliation

¹ California Institute of Technology, Jet Propulsion Laboratory, Pasadena, California 91109, USA.

PMID: 15267425
DOI: 10.1063/1.1687311

Abstract

The pure rotational spectrum of cis-cis peroxynitrous acid, HOONO, has been observed. Over 220 transitions, sampling states up to J'=67 and Ka'=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 A2 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.