High-resolution infrared spectroscopy of the asymmetric NO stretch band of jet-cooled nitromethane and assignment of the lowest four torsional states

doi:10.1016/j.jms.2017.08.001

Title: High-resolution infrared spectroscopy of the asymmetric NO stretch band of jet-cooled nitromethane and assignment of the lowest four torsional states

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Abstract

A high-throughput CW slit-jet apparatus coupled to a high-resolution FTIR was used to record the asymmetric NO stretch band of nitromethane. The b-type band, including torsionally excited states with m ≤ 3, has been assigned for Ka" ≤ 10, J" ≤ 20. The ground state combination differences derived from these assigned levels were fit with the RAM36 program to give an RMS deviation of 0.0006 cm-1. The band origin is 1583.0 (+/- 0.1) cm-1 and the torsional level spacing is nearly identical to that in the ground state. The upper state levels are split into multiplets by perturbations. A subset of the available upper state combination differences for m = 0, Ka' ≤ 7, J' ≤ 10 were fit with the same program, but with rather poorer precision (0.01 cm-1) than for the ground state.

Authors:: Dawadi, Mahesh B.; Degliumberto, Lou; Perry, David S.; Mettee, Howard D.; Sams, Robert L.

Publication Date:: 2018-01-01

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1439656

Report Number(s):: PNNL-SA-127486
Journal ID: ISSN 0022-2852

DOE Contract Number:: AC05-76RL01830

Resource Type:: Journal Article

Journal Name:: Journal of Molecular Spectroscopy

Additional Journal Information:: Journal Volume: 343; Journal Issue: C; Journal ID: ISSN 0022-2852

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Citation Formats


                    Dawadi, Mahesh B., Degliumberto, Lou, Perry, David S., Mettee, Howard D., and Sams, Robert L. High-resolution infrared spectroscopy of the asymmetric NO stretch band of jet-cooled nitromethane and assignment of the lowest four torsional states.  United States: N. p., 2018. 
        Web.  doi:10.1016/j.jms.2017.08.001.

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                    Dawadi, Mahesh B., Degliumberto, Lou, Perry, David S., Mettee, Howard D., & Sams, Robert L. High-resolution infrared spectroscopy of the asymmetric NO stretch band of jet-cooled nitromethane and assignment of the lowest four torsional states.  United States.  doi:10.1016/j.jms.2017.08.001.

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                    Dawadi, Mahesh B., Degliumberto, Lou, Perry, David S., Mettee, Howard D., and Sams, Robert L. Mon .  
        "High-resolution infrared spectroscopy of the asymmetric NO stretch band of jet-cooled nitromethane and assignment of the lowest four torsional states".  United States.  doi:10.1016/j.jms.2017.08.001.

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@article{osti_1439656,

  title        = {High-resolution infrared spectroscopy of the asymmetric NO stretch band of jet-cooled nitromethane and assignment of the lowest four torsional states},

  author       = {Dawadi, Mahesh B. and Degliumberto, Lou and Perry, David S. and Mettee, Howard D. and Sams, Robert L.},

  abstractNote = {A high-throughput CW slit-jet apparatus coupled to a high-resolution FTIR was used to record the asymmetric NO stretch band of nitromethane. The b-type band, including torsionally excited states with m ≤ 3, has been assigned for Ka" ≤ 10, J" ≤ 20. The ground state combination differences derived from these assigned levels were fit with the RAM36 program to give an RMS deviation of 0.0006 cm-1. The band origin is 1583.0 (+/- 0.1) cm-1 and the torsional level spacing is nearly identical to that in the ground state. The upper state levels are split into multiplets by perturbations. A subset of the available upper state combination differences for m = 0, Ka' ≤ 7, J' ≤ 10 were fit with the same program, but with rather poorer precision (0.01 cm-1) than for the ground state.},

  doi          = {10.1016/j.jms.2017.08.001},

  journal      = {Journal of Molecular Spectroscopy},

  issn         = {0022-2852},

  number       = C,

  volume       = 343,

  place        = {United States},

  year         = {2018},

  month        = {1}

}

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DOI: 10.1016/j.jms.2017.08.001

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