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

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

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

We used a high-throughput CW slit-jet apparatus coupled to a high-resolution FTIR 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. We also fit a subset of the available upper state combination differences for m = 0, Ka' ≤ 7, J' ≤ 10 with the same program, but with rather poorer precision (0.01 cm^-1) than for the ground state.

Authors:

Dawadi, Mahesh B. ^[1]; Degliumberto, Lou ^[1]; Perry, David S. ^[1]; Mettee, Howard D. ^[2]; Sams, Robert L. ^[3]

Univ. of Akron, OH (United States). Dept. of Chemistry
Youngstown State Univ., OH (United States). Dept. of Chemistry
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Publication Date:: Thu Aug 10 00:00:00 EDT 2017

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

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Biological and Environmental Research (BER)

OSTI Identifier:: 1390561

Alternate Identifier(s):: OSTI ID: 1495579

Report Number(s):: PNNL-SA-127486
Journal ID: ISSN 0022-2852; PII: S002228521730320X

Grant/Contract Number:: AC05-76RL01830; FG02-90ER14151; DEFG02-90ER14151

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Molecular Spectroscopy

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

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; High-resolution infrared spectroscopy; Nitromethane; Internal rotation; IVR

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., 2017. 
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.  https://doi.org/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. Thu .  
"High-resolution infrared spectroscopy of the asymmetric NO stretch band of jet-cooled nitromethane and assignment of the lowest four torsional states".  United States.  https://doi.org/10.1016/j.jms.2017.08.001.  https://www.osti.gov/servlets/purl/1390561.

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@article{osti_1390561,

  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 = {We used a high-throughput CW slit-jet apparatus coupled to a high-resolution FTIR 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. We also fit a subset of the available upper state combination differences for m = 0, Ka' ≤ 7, J' ≤ 10 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},

  number       = ,

  volume       = 343,

  place        = {United States},

  year         = {Thu Aug 10 00:00:00 EDT 2017},

  month        = {Thu Aug 10 00:00:00 EDT 2017}

}

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