Rotational spectroscopy and dipole moment of cis-cis HOONO and DOONO
Abstract
The rotational spectrum of cis-cis HOONO has been studied over a broad range of frequencies, 13–840 GHz, using pulsed beam Fourier-transform microwave spectroscopy and room-temperature flow cell submillimeter spectroscopy. The rotational spectrum of the deuterated isotopomer, cis-cis DOONO, has been studied over a subset of this range, 84–640 GHz. Improved spectroscopic constants have been determined for HOONO, and the DOONO spectrum is analyzed for the first time. Weak-field Stark effect measurements in the region of 84–110 GHz have been employed to determine the molecular dipole moments of cis-cis HOONO [µa=0.542(8) D,µb=0.918(15) D,µ=1.07(2) D] and DOONO [µa=0.517(9) D,µb=0.930(15) D,µ=1.06(2) D]. The quadrupole coupling tensor in the principal inertial axis system for the 14N nucleus has been determined to be chiaa=1.4907(25) MHz,chibb=–4.5990(59) MHz,chiab=3.17(147) MHz, and chicc=3.1082(59) MHz. Coordinates of the H atom in the center-of-mass frame have been determined with use of the Kraitchman equations, |aH|=0.516 Å and |bH|=1.171 Å. The inertial defects of HOONO and DOONO are consistent with a planar equilibrium structure with significant out-of-plane H atom torsional motion. Comparisons of the present results are made to ab initio calculations.
Additional Information
©2006 American Institute of Physics (Received 11 October 2005; accepted 8 December 2005; published online 22 February 2006) This research was performed in part at the Jet Propulsion Laboratory (JPL), California Institute of Technology, under contract with the National Aeronautics and Space Administration. The flow cell research was supported in part by NSF's Atmospheric Chemistry Program (Grant No. ATM-0432377), and the FTMW research was supported in part by NSF's Chemistry Program Grant No. CHE-0415745. One of the authors (J.L.F.) gratefully acknowledges funding provided by an American Association of University Women Dissertation Fellowship. The authors are particularly grateful to Susanna Widicus Weaver for her valuable help with the FTMW spectrometer, and to John Stanton for providing data prior to publication and his helpful comments on this manuscript. The authors also thank Edward Cohen, Geoffrey Blake, Mitchio Okumura, and Paul Wennberg for insightful discussions.Files
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2006-06-02Created from EPrint's datestamp field
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