Effective dipole moment parameters of 12C2H2 for the 100, 7.7, 1.4, 1.3, 1.2 and 1.0 μm regions

Lyulin, O.M.; Perevalov, V.I.

doi:10.1016/j.jms.2011.02.012

Cited by 10 publications

(4 citation statements)

References 23 publications

(68 reference statements)

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“…[12]. The Tomsk line list is based on the global modeling of the line positions and intensities within the framework of the method of effective operators [13][14][15] applied to various 'P series [15][16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

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Recommended acetylene line list in the 20–240 cm–1 and 400–630 cm–1 regions: New measurements and global modeling

Jacquemart

Lyulin

Perevalov

2017

Journal of Quantitative Spectroscopy and Radiative Transfer

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A new recommended 12 C 2 H 2 line list for the 13 − 248 cm-1 and 390 − 634 cm-1 regions is presented. It is based on the results of the global modeling of the line positions and intensities performed in Tomsk within the framework of the method of effective operators. To validate the Tomsk calculations new measurements of both line positions and intensities were performed using acetylene spectra recorded between 25 and 680 cm −1 with the AILES-A beamline of SOLEIL synchrotron. Line positions and intensities of 627 transitions belonging to 9 bands have been measured for the first time in this region. Using the results of these new measurements and the published results of the measurements in the 13 − 248 cm-1 and 390 − 634 cm-1 regions performed with the same facilities new fittings of the line intensities for the ∆P = 0 and ∆P = 1 series of transitions have been performed. Here P = 5v 1 + 3v 2 + 5v 3 + v 4 + v 5 is a polyad number, where v 1 , v 2 , v 3 , v 4 , and v 5 are the principal quantum numbers of the acetylene harmonic oscillators. These new sets of the effective dipole moment parameters were used to generate the line list which contains the line positions and intensities of 39 and 29 bands, respectively for the ∆P = 0 and ∆P = 1 series of transitions. None of these bands is present in the HITRAN 2012 and GEISA 2015 databases. This paper presents the first part of a global work on the validation of Tomsk calculations.

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Section: Introductionmentioning

confidence: 99%

“…This approach applied to the acetylene molecule was originally presented in our papers [14,15]. The effective dipole moment parameters of 16 series of transitions ΔP=0,1,2,…,15 were fitted to the observed lineintensities collected from the literature[15,20]. The result of the new refined fit for ΔP=0 and 1 are given in the following sub-sections.…”

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confidence: 99%

Recommended acetylene line list in the 20–240 cm–1 and 400–630 cm–1 regions: New measurements and global modeling

Jacquemart

Lyulin

Perevalov

2017

Journal of Quantitative Spectroscopy and Radiative Transfer

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“…added in HITRAN2016 database. The calculation is based on the global modeling of the line positions and intensities within the framework of the method of effective operators [2][3][4] applied to various P series [1,[5][6][7][8][9] (P being polyad number defined in Section 3). In the present work new experimental spectra have been recorded and measurements of line intensities have been performed for 1020 transitions belonging to 18 vibrational bands between 638 and 820 cm -1 .…”

Section: Introductionmentioning

confidence: 99%

Recommended acetylene 12C2H2 line list in 13.6 µm spectral region: New measurements and global modeling

Jacquemart

Soulard

Lyulin

2020

Journal of Quantitative Spectroscopy and Radiative Transfer

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Following a previous work on recommended 12 C 2 H 2 line list for the 13 248 cm -1 and 390 634 cm -1 spectral regions, the present work is dedicated on new measurements between 638 and 820 cm -1 . Line intensities have been measured for 18 bands: only four of them were previously reported. The measurements allowed validating predictions based on the global modeling of the line positions and intensities performed within the framework of the method of effective operators. Using the present new measurements as well as previous measurements from literature, new fittings of the line intensities for the = 1 series of transitions have been performed. A complete calculated line list of 200 bands belonging of the = 1 series of transitions is proposed as supplementary data in order to improve such spectroscopic databases as HITRAN or GEISA.where we denoted for simplicity the set of the harmonic oscillator quantum numbers V i by vector V and the vibrational angular moment quantum numbers i by vector . The sum over these vectors assumes the sum over every quantum numbers separately, but satisfying Eq. (4).After developing effective dipole moment operator in series the calculations lead to the next expression for the probability of the transition:

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“…In the frequency domain, rotational degrees of freedom are now more frequently included and, sometimes, also vibration-rotation line intensities. [145][146][147] These additional constraints set the predictive power of global models in the frequency domain typically at the level of optimal high-resolution infrared spectroscopic accuracy, as currently exploited in atmospheric databases. [148][149][150][151][152][153][154][155] Such advances are significant and have already started benefiting the time-dependent, OSD community, as well.…”

Section: Introductionmentioning

confidence: 99%

Molecular spectroscopy and dynamics: a polyad-based perspective

Herman

Perry

2013

Phys. Chem. Chem. Phys.

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The efficiency and insight of global, polyad-based modeling in overtone spectroscopy and dynamics is demonstrated. Both vibration and vibration-rotation polyads are considered. The spectroscopic implications of polyad Hamiltonians derive from their ability to account for the detailed line positions and intensities of spectral features and their unique predictive power. The dynamical implications of polyad Hamiltonians include classical bifurcations that lead to the birth of new vibrational modes and intramolecular vibrational-rotational energy redistribution over multiple timescales. The literature is reviewed, with emphasis on acetylene results.

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Effective dipole moment parameters of 12C2H2 for the 100, 7.7, 1.4, 1.3, 1.2 and 1.0 μm regions

Cited by 10 publications

References 23 publications

Recommended acetylene line list in the 20–240 cm–1 and 400–630 cm–1 regions: New measurements and global modeling

Recommended acetylene line list in the 20–240 cm–1 and 400–630 cm–1 regions: New measurements and global modeling

Recommended acetylene 12C2H2 line list in 13.6 µm spectral region: New measurements and global modeling

Molecular spectroscopy and dynamics: a polyad-based perspective

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