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

doi:10.1016/j.jms.2011.02.014

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

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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 ν_t (=ν₁₅) = 0 and first ν_t = 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 ν_t = 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 ν_t = 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 ν_t = 0 state of the cis-methyl nitrite species, another fit was performed on those lines, using a Watson type Hamiltonian for comparison.

Original language	English (US)
Pages (from-to)	92-99
Number of pages	8
Journal	Journal of molecular spectroscopy
Volume	267
Issue number	1-2
DOIs	https://doi.org/10.1016/j.jms.2011.02.014
State	Published - May 2011
Externally published	Yes

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.

Keywords

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

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Sironneau, V., Chelin, P., Tchana, F. K., Kleiner, I., Pirali, O., Roy, P., Guillemin, J. C., Orphal, J., Marguls, L., Motiyenko, R. A., Cooke, S. A., Youngblood, W. J., Agnew, A., & Dewberry, C. T. (2011). Reinvestigation of the microwave and new high resolution far-infrared spectra of cis-methyl nitrite, CH₃ONO: Rotational study of the two first torsional states. Journal of molecular spectroscopy, 267(1-2), 92-99. https://doi.org/10.1016/j.jms.2011.02.014

Sironneau, V, Chelin, P, Tchana, FK, Kleiner, I, Pirali, O, Roy, P, Guillemin, JC, Orphal, J, Marguls, L, Motiyenko, RA, Cooke, SA, Youngblood, WJ, Agnew, A & Dewberry, CT 2011, 'Reinvestigation of the microwave and new high resolution far-infrared spectra of cis-methyl nitrite, CH₃ONO: Rotational study of the two first torsional states', Journal of molecular spectroscopy, vol. 267, no. 1-2, pp. 92-99. https://doi.org/10.1016/j.jms.2011.02.014

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

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.",

keywords = "High resolution, Internal rotation, Line positions, Methyl nitrite, Rotation-torsion spectrum",

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

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. ",

year = "2011",

month = may,

doi = "10.1016/j.jms.2011.02.014",

language = "English (US)",

volume = "267",

pages = "92--99",

journal = "Journal of molecular spectroscopy",

issn = "0022-2852",

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T1 - Reinvestigation of the microwave and new high resolution far-infrared spectra of cis-methyl nitrite, CH3ONO

T2 - Rotational study of the two first torsional states

AU - Sironneau, V.

AU - Chelin, P.

AU - Tchana, F. Kwabia

AU - Kleiner, I.

AU - Pirali, O.

AU - Roy, P.

AU - Guillemin, J. C.

AU - Orphal, J.

AU - Marguls, L.

AU - Motiyenko, R. A.

AU - Cooke, S. A.

AU - Youngblood, W. J.

AU - Agnew, A.

AU - Dewberry, C. T.

N1 - 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.

PY - 2011/5

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N2 - 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.

AB - 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.

KW - High resolution

KW - Internal rotation

KW - Line positions

KW - Methyl nitrite

KW - Rotation-torsion spectrum

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