Global modeling of the 14N216O line positions within the framework of the polyad model of effective Hamiltonian

Perevalov, V.I.; Tashkun, S.A.; Kochanov, Roman V.; Liu, A.-W.; Campargue, A.

doi:10.1016/j.jqsrt.2011.12.008

Cited by 27 publications

(11 citation statements)

References 75 publications

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“…Because of the approximate       relations between harmonic frequencies, the 14 N 2 16 O vibrational states are involved in a set of couplings that need a global modeling [36].…”

Section: Resultsmentioning

confidence: 99%

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High accuracy line positions of the ν 1 fundamental band of 14 N 2 16 O

Alsaif

Lamperti

Gatti

et al. 2018

Journal of Quantitative Spectroscopy and Radiative Transfer

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This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Highlights  The  1 band of N 2 O is measured with an extended-cavity quantum cascade laser near 7.8 m  The spectrometer is frequency locked to a Tm:based frequency comb at 1.9 m  70 lines are measured with an estimated systematic uncertainty of 60 kHz.  Accurate spectroscopic constants of the 10 0 0 upper state are derived  The rms of the fit of the line centers is ≈ 4.8×10-6 cm-1 (144 kHz)

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Section: Resultsmentioning

confidence: 99%

“…(36) b 0.4172550738(14) 0.172768(13) 0.1164(46) P(38)-R(18) Tachikawa et al [14] Notes The uncertainties (1) are given in parenthesis in the unit of the last quoted digit. a Root Mean Square of the (Meas.-Calc.)…”

mentioning

confidence: 99%

High accuracy line positions of the ν 1 fundamental band of 14 N 2 16 O

Alsaif

Lamperti

Gatti

et al. 2018

Journal of Quantitative Spectroscopy and Radiative Transfer

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“…Extensive spectroscopic databases have been developed by Perevalov and Fayt, in particular. The first of these authors investigated CO 2 [312][313][314][315] and N 2 O, 146,316 systematically. The second focused on FCN, 317 ClCN, 318 BrCN, 319 ICN, 216 OCS, 217,320,321 OCSe, 322 CS 2 , 301,320,323 cyanoacetylenes and related species in their extended bending spectral ranges.…”

Section: B Global Vibration-rotation Polyad Hamiltoniansmentioning

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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“…The spectra of the main isotopologue 14 N 2 16 O have been systematically studied up to 669 nm with Fourier-transform spectroscopy (FTS) [7−11], intra-cavity laser absorption spectroscopy (ICLAS) [11−16], and cavity ring-down spectroscopy (CRDS) [17−20]. Furthermore, the line positions of 14 N 2 16 O in the 0−9700 cm −1 region can be reproduced with an RMS value of 0.00423 cm −1 by a global modeling program using the polyad model of effective Hamiltonian [21]. All line intensities in the range of 0−11000 cm −1 can be calculated with the effective dipole moment parameters [9].…”

Section: Introductionmentioning

confidence: 99%

High Precision Cavity Ring Down Spectroscopy of 6ν₃ Overtone Band of ¹⁴N₂¹⁶O near 775 nm

Zhao

Wang

Liu

et al. 2017

Chinese Journal of Chemical Physics

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Transitions of the 6ν 3 overtone band of 14 N 2 16 O near 775 nm have been studied by continuous-wave cavity ring-down spectroscopy. Line positions and intensities were derived from a fit of the line shape using a hard-collisional profile. The line positions determined with absolute accuracy of 5×10 −4 cm −1 allowed us to reveal finer ro-vibrational couplings taking place after J>14 except a strong anharmonic interaction identified by the effective Hamiltonian model. The absolute line intensities have also been retrieved with an estimated accuracy of 2% for a majority of the unblended lines. A new set of ro-vibrational and dipole moment parameters were derived from the experimental values. A comparison between the line positions and intensities of the 6ν 3 band obtained in this work and those from previous studies is given.

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Global modeling of the 14N216O line positions within the framework of the polyad model of effective Hamiltonian

Cited by 27 publications

References 75 publications

High accuracy line positions of the ν 1 fundamental band of 14 N 2 16 O

High accuracy line positions of the ν 1 fundamental band of 14 N 2 16 O

Molecular spectroscopy and dynamics: a polyad-based perspective

High Precision Cavity Ring Down Spectroscopy of 6ν₃ Overtone Band of ¹⁴N₂¹⁶O near 775 nm

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Global modeling of the 14N216O line positions within the framework of the polyad model of effective Hamiltonian

Cited by 27 publications

References 75 publications

High accuracy line positions of the ν 1 fundamental band of 14 N 2 16 O

High accuracy line positions of the ν 1 fundamental band of 14 N 2 16 O

Molecular spectroscopy and dynamics: a polyad-based perspective

High Precision Cavity Ring Down Spectroscopy of 6ν3 Overtone Band of 14N216O near 775 nm

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High Precision Cavity Ring Down Spectroscopy of 6ν₃ Overtone Band of ¹⁴N₂¹⁶O near 775 nm