Improvement of the spectroscopic parameters of the air- and self-broadened N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si3.svg"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>O and CO lines for the HITRAN2020 database applications

Hashemi, Robab; Gordon, Iouli E.; Adkins, Erin M.; Hodges, Joseph T.; Long, David A.; Birk, Manfred; Loos, Joep; Boone, C. D.; Fleisher, Adam J.; Predoi‐Cross, Adriana; Rothman, Laurence S.

doi:10.1016/j.jqsrt.2021.107735

Cited by 14 publications

(3 citation statements)

References 78 publications

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“…Therefore the He-broadening coefficients for CO 2 lines from Nakamichi et al (2006) have been used to supplement the He-broadening coefficients for N 2 O. We have found before (Hashemi et al 2021;Tan et al 2019) that the magnitude and rotational dependence of broadening of CO 2 lines and N 2 O lines by different gases are very close, which is not surprising as their molecular electrostatic surface potentials are close. A Padé approximant (Equation ( 3)) was applied to fit the resulting data as shown in Figure 5 3.…”

Section: Nitrous Oxide (Molecule 4)mentioning

confidence: 96%

H₂, He, and CO₂ Pressure-induced Parameters for the HITRAN Database. II. Line Lists of CO₂, N₂O, CO, SO₂, OH, OCS, H₂CO, HCN, PH₃, H₂S, and GeH₄

Tan

Skinner²,

Samuels

et al. 2022

ApJS

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In recent years, extended efforts have been made to increase the potential for modeling and interpreting the spectra of planetary atmospheres using the HITRAN database. A significant objective is to provide broadening parameters due to the ambient pressure of He, H2, and CO2 gases. Since hydrogen and helium are the main constituents in the atmospheres of gas giants, and carbon dioxide dominates the atmospheres of many rocky planets, these spectroscopic data are essential for radiative transfer models dedicated to planetary atmospheres. In HITRAN2016, the He-, H2- and CO2-broadening parameters and their temperature dependencies, and in some cases pressure-induced shifts, were added to the line lists of CO, SO2, NH3, HF, HCl, OCS, and C2H2. This work describes a further expansion introduced in the HITRAN2020 edition. In particular, relevant data for the line lists of CO2, N2O, OH, H2CO, HCN, PH3, H2S, and GeH4 were added, while those for CO, SO2, and OCS were revised. The new data are based on the semiempirical models constructed on available and validated experimental measurements and theoretical predictions. These models strongly depend on the extent and quality of the available data. The paper explains how to use the online interface or the HITRAN Application Programming Interface (HAPI) to retrieve these data from the database. Examples of calculating a molecule’s spectra in a mixture of buffer-gases using HAPI are also provided. We also provide a set of Python codes allowing one to populate any line list of corresponding molecules with relevant broadening parameters.

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Section: Nitrous Oxide (Molecule 4)mentioning

confidence: 96%

H₂, He, and CO₂ Pressure-induced Parameters for the HITRAN Database. II. Line Lists of CO₂, N₂O, CO, SO₂, OH, OCS, H₂CO, HCN, PH₃, H₂S, and GeH₄

Tan

Skinner²,

Samuels

et al. 2022

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“…The J -dependence of the line mixing coefficients was determined by the iterative procedure starting with the experimental data on He-broadening of CO lines from Predoi-Cross et al 28 In the first step, we supposed that y CO–CO R( J ) = y CO–Ar R( J ) = y CO–He R( J ) . In the second step, after analysis of our experimental data and determination of y coefficients for the R(0) and R(1) lines, the y R ( J ) coefficients were calculated for both the self- and Ar-broadening cases asAnother possibility of calculating the J -dependence is based on the y CO–CO R( J ) data provided by the HITRAN2020 database (see also Hashemi et al 53 ). For an unknown reason these coefficients are equal to zero for J ≤ 3 and values for J > 3 differ from the coefficients calculated using eqn (11) on the basis of our experimental results (Fig.…”

Section: Experimental Techniques and Data Processingmentioning

confidence: 99%

Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range versus ab initio calculations

Tretyakov

Serov

Makarov

et al. 2023

Phys. Chem. Chem. Phys.

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“…4). For both we use transition amplitudes, energy levels and partition functions available in HITRAN [41][42][43][44], assume thermal equilibrium at T = 296 K and include pathways with J i values up to 37. The figures show resonance amplitudes, Eq.…”

Section: Branch Structure Of 2d Spectramentioning

confidence: 99%

Theory of rotationally resolved two-dimensional infrared spectroscopy including polarization dependence and rotational coherence dynamics

Kowzan,

Allison

2022

Preprint

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Two-dimensional infrared (2DIR) spectroscopy is widely used to study molecular dynamics but it is typically restricted to optically thick samples and modest spectral resolution. The recently proposed technique of cavity-enhanced 2D spectroscopy using frequency combs and developments in multi-comb spectroscopy can lift these restrictions, demonstrating the need for rigorous and quantitative treatment of rotationally-resolved, polarization-dependent third-order response of gas-phase samples. This article provides such description using density-matrix, time-dependent perturbation theory and angular momentum algebra techniques. We describe the band and branch structure of 2D spectra, decompose the molecular response into polarization-dependence classes, use this decomposition to derive and explain special polarization conditions and relate the liquid-phase polarization conditions to gas-phase ones. Furthermore, we discuss the rotational coherence dynamics during waiting time.

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Improvement of the spectroscopic parameters of the air- and self-broadened N2O and CO lines for the HITRAN2020 database applications

Cited by 14 publications

References 78 publications

H₂, He, and CO₂ Pressure-induced Parameters for the HITRAN Database. II. Line Lists of CO₂, N₂O, CO, SO₂, OH, OCS, H₂CO, HCN, PH₃, H₂S, and GeH₄

H₂, He, and CO₂ Pressure-induced Parameters for the HITRAN Database. II. Line Lists of CO₂, N₂O, CO, SO₂, OH, OCS, H₂CO, HCN, PH₃, H₂S, and GeH₄

Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range versus ab initio calculations

Theory of rotationally resolved two-dimensional infrared spectroscopy including polarization dependence and rotational coherence dynamics

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Improvement of the spectroscopic parameters of the air- and self-broadened N2O and CO lines for the HITRAN2020 database applications

Cited by 14 publications

References 78 publications

H2, He, and CO2 Pressure-induced Parameters for the HITRAN Database. II. Line Lists of CO2, N2O, CO, SO2, OH, OCS, H2CO, HCN, PH3, H2S, and GeH4

H2, He, and CO2 Pressure-induced Parameters for the HITRAN Database. II. Line Lists of CO2, N2O, CO, SO2, OH, OCS, H2CO, HCN, PH3, H2S, and GeH4

Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range versus ab initio calculations

Theory of rotationally resolved two-dimensional infrared spectroscopy including polarization dependence and rotational coherence dynamics

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Product

Resources

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H₂, He, and CO₂ Pressure-induced Parameters for the HITRAN Database. II. Line Lists of CO₂, N₂O, CO, SO₂, OH, OCS, H₂CO, HCN, PH₃, H₂S, and GeH₄

H₂, He, and CO₂ Pressure-induced Parameters for the HITRAN Database. II. Line Lists of CO₂, N₂O, CO, SO₂, OH, OCS, H₂CO, HCN, PH₃, H₂S, and GeH₄