Actions for Pseudo-equilibrium geometry of HNO determined by an E-Band CP-FTmmW spectrometer [electronic resource].

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Pseudo-equilibrium geometry of HNO determined by an E-Band CP-FTmmW spectrometer [electronic resource].

Published
Washington, D.C. : United States. Dept. of Energy. Office of Basic Energy Sciences, 2017.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description
pages 101-108 : digital, PDF file
Additional Creators
Argonne National Laboratory, United States. Department of Energy. Office of Basic Energy Sciences, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
An E-Band (60–90 GHz) chirped-pulse Fourier transform millimeter-wave spectrometer has been constructed for eventual kinetics and dynamics studies. The performance of the spectrometer is demonstrated with the molecule nitroxyl (HNO). Using the new spectrometer and by passing isotopically labelled methyl nitrite (CH3ONO) through a pyrolysis nozzle, the spectra of minor isotopologues of HNO have been obtained. The observations on the isotopologues identified here, H15NO, HN18O, and D15NO, have been combined with the earlier isotopic observations, HNO and DNO, to create a global rm(1) HNO geometry that approximates an equilibrium structure. Furthermore, the results are compared to high-level ab initio calculations.
Report Numbers
E 1.99:1389650
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Note
Published through SciTech Connect.
05/16/2017.
"131882"
Chemical Physics Letters 680 C ISSN 0009-2614 AM
Daniel P. Zaleski; Kirill Prozument.
Funding Information
AC02-06CH11357
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