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

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:
 [1] ;  [1] ;  [1] ;  [2] ;  [3]
  1. Univ. of Akron, OH (United States). Dept. of Chemistry
  2. Youngstown State Univ., OH (United States). Dept. of Chemistry
  3. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
Report Number(s):
PNNL-SA-127486
Journal ID: ISSN 0022-2852; PII: S002228521730320X
Grant/Contract Number:
AC05-76RL01830; FG02-90ER14151
Type:
Accepted Manuscript
Journal Name:
Journal of Molecular Spectroscopy
Additional Journal Information:
Journal Volume: 343; Journal ID: ISSN 0022-2852
Publisher:
Elsevier
Research Org:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; High-resolution infrared spectroscopy; Nitromethane; Internal rotation; IVR
OSTI Identifier:
1390561

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., Web. doi:10.1016/j.jms.2017.08.001.
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.
Dawadi, Mahesh B., Degliumberto, Lou, Perry, David S., Mettee, Howard D., and Sams, Robert L.. 2017. "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. https://www.osti.gov/servlets/purl/1390561.
@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 = {2017},
month = {8}
}