Published March 22, 2004
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Rotational spectrum of cis–cis HOONO
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Abstract
The pure rotational spectrum of cis-cis peroxynitrous acid, HOONO, has been observed. Over 220 transitions, sampling states up to J(')=67 and K-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 A(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.
Additional Information
Copyright © 2004 American Institute of Physics. Received 15 January 2004; accepted 28 January 2004. This research was performed at the Jet Propulsion Laboratory (JPL), California Institute of Technology, under contract with the National Aeronautics and Space Administration. This material is based upon work supported under a National Science Foundation Graduate Research Fellowship (J.L.F.) and supported by NSF's Atmospheric Chemistry Program (Grant No. ATM-0094760). The authors thank S. P. Sander (JPL), P. O. Wennberg (Caltech), and M. Okumura (Caltech) for insightful discussions, J. S. Francisco (Purdue) for communicating the results of his ab initio calculations, and D. T. Petkie (Wright State) for unpublished HOOH and HONO2 excited state constants.Files
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