Reinvestigation of the microwave and new high resolution far-infrared spectra of cis-methyl nitrite, CH3ONO: Rotational study of the two first torsional states

V. Sironneau, P. Chelin, F. Kwabia Tchana, I. Kleiner, O. Pirali, P. Roy, J. C. Guillemin, J. Orphal, L. Marguls, R. A. Motiyenko, S. A. Cooke, W. J. Youngblood, A. Agnew, C. T. Dewberry

Research output: Contribution to journalArticlepeer-review

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Abstract

The first far-infrared high resolution absorption measurement of the cis-methyl nitrite molecule has been recorded in the range 15-400 cm -1 using the synchrotron AILES beamline radiation at SOLEIL with a resolution of 0.0011 cm-1. First assignments for the pure rotational transitions (15-65 cm-1) belonging to the ground νt (=ν15) = 0 and first νt = 1 excited torsional state are based on measurements from previous studies performed in the 13-40 GHz spectral range, as well as on new millimeter-wave measurements performed at Lille in the spectral range 75-465 GHz. A few measurements and remeasurements in the 1.8-13 GHz were also performed using the chirped FT-MW spectrometer located in North Texas. The pure rotational transitions in the far-infrared and in the microwave spectral range belonging to the two first torsional states have been globally fitted using the RAM ("Rho Axis Method") dealing with the rotation-torsion Hamiltonian and implemented in the BELGI code. A total of 708 and 713 microwave transitions (6 ≤ J ≤ 40, Kamax ≤ 23) belonging to the ground torsional state νt = 0 and 1 have been fitted with root-mean-square (rms) deviations of 37.4 kHz and 32.3 kHz respectively, and 3170 pure rotational transitions in the far-infrared range (12 ≤ J max ≤ 65, 0 ≤ Kamax ≤ 48) belonging to νt = 0 and 1 have been fitted with a rms deviation of 0.00017 cm-1, using 35 parameters. Since in the far-infrared spectral range, the A-E internal rotor splittings have not been observed for the transitions belonging to the torsional ground νt = 0 state of the cis-methyl nitrite species, another fit was performed on those lines, using a Watson type Hamiltonian for comparison.

Original languageEnglish (US)
Pages (from-to)92-99
Number of pages8
JournalJournal of molecular spectroscopy
Volume267
Issue number1-2
DOIs
StatePublished - May 2011

Bibliographical note

Funding Information:
The authors wish to thank Dr. M. David for his assistance and advice during the preparation of the chemical synthesis of CH 3 ONO. The authors are deeply indebted to Dr Laurent Manceron for advices, discussions and helping with the recording of the methyl nitrite spectrum at the French synchrotron SOLEIL. J.-C. Guillemin thanks the PCMI (INSU-CNRS) for financial support. Part of this work is supported by the French ANR-08-BLAN TopModel grant.

Copyright:
Copyright 2011 Elsevier B.V., All rights reserved.

Keywords

  • High resolution
  • Internal rotation
  • Line positions
  • Methyl nitrite
  • Rotation-torsion spectrum

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