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Title: Application of the Hartmann–Tran profile to precise experimental data sets of 12C2H2

Abstract

Self- and nitrogen-broadened line shape data for the Pe(11) line of the ν₁ + ν₃ band of acetylene, recorded using a frequency comb-stabilized laser spectrometer, have been analyzed using the Hartmann–Tran profile (HTP) line shape model in a multispectrum fitting. In total, the data included measurements recorded at temperatures between 125 K and 296 K and at pressures between 4 and 760 Torr. New, sub-Doppler, frequency comb-referenced measurements of the positions of multiple underlying hot band lines have also been made. These underlying lines significantly affect the Pe(11) line profile at temperatures above 240 K and poorly known frequencies previously introduced errors into the line shape analyses. Thus, the behavior of the HTP model was compared to the quadratic speed dependent Voigt profile (QSDVP) expressed in the frequency and time domains. A parameter uncertainty analysis was carried out using a Monte Carlo method based on the estimated pressure, transmittance and frequency measurement errors. From the analyses, the Pe(11) line strength was estimated to be 1.2014(50) × 10-20 in cm.molecules⁻¹ units at 296 K with the standard deviation in parenthesis. For analyzing these data, we found that a reduced form of the HTP, equivalent to the QSDVP, was most appropriate becausemore » the additional parameters included in the full HTP were not well determined. As a supplement to this work, expressions for analytic derivatives and a lineshape fitting code written in Matlab for the HTP are available.« less

Authors:
 [1];  [2];  [1];  [1];  [3]
+ Show Author Affiliations
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Stony Brook Univ., Stony Brook, NY (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1188275
Alternate Identifier(s):
OSTI ID: 1246567
Report Number(s):
BNL-108117-2015-JA
Journal ID: ISSN 0022-4073; R&D Project: CO006; KC0301020
Grant/Contract Number:  
SC00112704; SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Quantitative Spectroscopy and Radiative Transfer
Additional Journal Information:
Journal Volume: 165; Journal Issue: C; Journal ID: ISSN 0022-4073
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; lineshape modeling; acetylene; C₂H₂; frequency comb referenced spectroscopy; HTP

Citation Formats

Forthomme, D., Cich, M. J., Twagirayezu, S., Hall, G. E., and Sears, T. J. Application of the Hartmann–Tran profile to precise experimental data sets of 12C2H2. United States: N. p., 2015. Web. doi:10.1016/j.jqsrt.2015.06.013.
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Forthomme, D., Cich, M. J., Twagirayezu, S., Hall, G. E., & Sears, T. J. Application of the Hartmann–Tran profile to precise experimental data sets of 12C2H2. United States. https://doi.org/10.1016/j.jqsrt.2015.06.013
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Forthomme, D., Cich, M. J., Twagirayezu, S., Hall, G. E., and Sears, T. J. Thu . "Application of the Hartmann–Tran profile to precise experimental data sets of 12C2H2". United States. https://doi.org/10.1016/j.jqsrt.2015.06.013. https://www.osti.gov/servlets/purl/1188275.
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@article{osti_1188275,
title = {Application of the Hartmann–Tran profile to precise experimental data sets of 12C2H2},
author = {Forthomme, D. and Cich, M. J. and Twagirayezu, S. and Hall, G. E. and Sears, T. J.},
abstractNote = {Self- and nitrogen-broadened line shape data for the Pe(11) line of the ν₁ + ν₃ band of acetylene, recorded using a frequency comb-stabilized laser spectrometer, have been analyzed using the Hartmann–Tran profile (HTP) line shape model in a multispectrum fitting. In total, the data included measurements recorded at temperatures between 125 K and 296 K and at pressures between 4 and 760 Torr. New, sub-Doppler, frequency comb-referenced measurements of the positions of multiple underlying hot band lines have also been made. These underlying lines significantly affect the Pe(11) line profile at temperatures above 240 K and poorly known frequencies previously introduced errors into the line shape analyses. Thus, the behavior of the HTP model was compared to the quadratic speed dependent Voigt profile (QSDVP) expressed in the frequency and time domains. A parameter uncertainty analysis was carried out using a Monte Carlo method based on the estimated pressure, transmittance and frequency measurement errors. From the analyses, the Pe(11) line strength was estimated to be 1.2014(50) × 10-20 in cm.molecules⁻¹ units at 296 K with the standard deviation in parenthesis. For analyzing these data, we found that a reduced form of the HTP, equivalent to the QSDVP, was most appropriate because the additional parameters included in the full HTP were not well determined. As a supplement to this work, expressions for analytic derivatives and a lineshape fitting code written in Matlab for the HTP are available.},
doi = {10.1016/j.jqsrt.2015.06.013},
journal = {Journal of Quantitative Spectroscopy and Radiative Transfer},
number = C,
volume = 165,
place = {United States},
year = {Thu Jun 25 00:00:00 EDT 2015},
month = {Thu Jun 25 00:00:00 EDT 2015}
}
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    Optical Determination of Thermodynamic Temperatures from a C 2 H 2 Line-Doublet in the Near Infrared
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