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

Forthomme, D.; Cich, M. J.; Twagirayezu, S.; Hall, G. E.; Sears, T. J.

doi:10.1016/j.jqsrt.2015.06.013

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

Journal Article · Thu Jun 25 00:00:00 EDT 2015 · Journal of Quantitative Spectroscopy and Radiative Transfer

DOI:https://doi.org/10.1016/j.jqsrt.2015.06.013· OSTI ID:1188275

Forthomme, D. ^[1]; Cich, M. J. ^[2]; Twagirayezu, S. ^[1]; Hall, G. E. ^[1]; Sears, T. J. ^[3]

Brookhaven National Lab. (BNL), Upton, NY (United States)
Stony Brook Univ., Stony Brook, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States)

Self- and nitrogen-broadened line shape data for the P_e(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 P_e(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 P_e(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.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI ID:: 1188275

Alternate ID(s):: OSTI ID: 1246567

Report Number(s):: BNL--108117-2015-JA; KC0301020

Journal Information:: Journal of Quantitative Spectroscopy and Radiative Transfer, Journal Name: Journal of Quantitative Spectroscopy and Radiative Transfer Journal Issue: C Vol. 165; ISSN 0022-4073

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
C₂H₂
HTP
acetylene
frequency comb referenced spectroscopy
lineshape modeling