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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

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:
; ; ; ;
Publication Date:
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.
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. 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.
@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}
}