High-resolution room temperature and jet-cooled spectroscopic investigation of 15NH3 in the ν1+ν3 band region (1.51 μm)

Földes, Tomáš; Vanfleteren, Thomas; Rizopoulos, A.; Herman, Michel; Auwera, J. Vander; Softley, T. P.; Lonardo, G. Di; Fusina, L.

doi:10.1016/j.jqsrt.2016.03.018

Cited by 3 publications

(5 citation statements)

References 41 publications

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“…Figure 10. (Colour online) Examples of jet-cooled overtone spectra of monomer species recorded at CQP/ULB-Brussels using cw-CRDS (experimental conditions are to be found in the mentioned references): (a) ν 1 + ν 2 in trans-HCOOH (top), compared to the room temperature femto-FT-CEAS (middle) and to conventional FTS (bottom) spectra, after [84]; (b) unidentified band in CH 3 C 2 H (bottom, red), compared to the room temperature femto OPO-FT-CEAS (top) and conventional room temperature FTS (middle, black) spectra, after [171]; (c) Q-branch in the 2NH absorption spectrum of 15 NH 3 (top), compared to the conventional room temperature FTS spectrum (bottom, blue), see text, after [172]. Energy scales correspond to cm −1 .…”

Section: Cw-crds Based Overtone Spectramentioning

confidence: 99%

“…The a/s doublets are highlighted using coloured dots, with J = 1 to 5 by decreasing wavenumber. More details are given in [84,171,172] for trans-formic acid, propyne and ammonia, respectively. The cw-CRDS technique will be detailed in Section 3.…”

Section: Cw-crds Based Overtone Spectramentioning

confidence: 99%

“…This work also relied on ground state combination differences in both 14 NH 3 [229] and 15 NH 3 [172].…”

Section: Nh 3 / 15 Nh 3 -Rgmentioning

confidence: 99%

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Overtone spectroscopy of molecular complexes containing small polyatomic molecules

Herman

Földes

Didriche

et al. 2016

International Reviews in Physical Chemistry

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The literature on the high-resolution spectroscopic investigation of molecular complexes containing small polyatomic species excited in their vibrational overtones is reviewed. They turn out to be complexes containing acetylene, ammonia and water, mainly excited in their 2CH, 2NH and 2OH vibrations, respectively. The majority of results published on these systems was obtained using an instrumental set-up based on cw-cavity ring-down spectroscopy, built in the 'Laboratoire de Chimie quantique et Photophysique' at the 'Université libre de Bruxelles' (CQP/ULB) and named FANTASIO+, which is described. It allowed retrieving upper state vibrational predissociation lifetimes, which are highlighted together with more results. The sequence of experiments at CQP/ULB prior and along the line of those supporting the investigation of molecular complexes is briefly illustrated.

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Section: Cw-crds Based Overtone Spectramentioning

confidence: 99%

Section: Cw-crds Based Overtone Spectramentioning

confidence: 99%

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Overtone spectroscopy of molecular complexes containing small polyatomic molecules

Herman

Földes

Didriche

et al. 2016

International Reviews in Physical Chemistry

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“…They have been recorded at high resolution at room temperature or jet cooled for 14 NH 3 and 15 NH 3 using an External Cavity Tunable Diode Laser (ECTDL) spectrometer. 12,13,[57][58][59][60][61][62] The ground state combination differences (GSCD) method was applied to identify the lower state of transitions, and the assignments were validated by comparison of the spectra recorded at different temperature or obtained for different isotopologues.…”

Section: Introductionmentioning

confidence: 99%

The v2 = 1, 2 and v4 = 1 bending states of 15NH3 and their analysis at experimental accuracy

Cané

Lonardo

Fusina

et al. 2019

The Journal of Chemical Physics

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15 NH 3 is the object of extensive investigation due to the central role of ammonia in astronomical sciences and to the complexity of modeling its interacting vibrationally excited states. Of major interest in astrochemistry is the determination of the 14 N/ 15 N ratio in space, characterized by unexpected variability among different solar system objects and reservoirs. Recently, the spectroscopic analysis of ground and v 2 = 1 a, s states of 15 NH 3 has been completed at experimental accuracy. Here, the characterization of the a, s inversion symmetry levels of v 2 = 1, 2 and v 4 = 1 states is presented. New spectra of 15 NH 3 have been recorded from 325 to 2000 cm −1 at a resolution ranging from 0.00096 cm −1 to 0.003 cm −1 , using the Canadian Light Source synchrotron at CLS. 7518 transitions covering nine bands, ν 2 , 2ν 2 , ν 4 , 2ν 2 ← ν 2 , ν 4 ← ν 2 , 2ν 2 ↔ ν 4 and the inversion-rotation transitions in the excited states, have been fitted simultaneously. The effective Hamiltonian adopted includes all symmetry allowed interactions between and within the studied excited states, according to the most recent results on ammonia. The transitions have been reproduced at experimental accuracy using 185 spectroscopic parameters, determined with high precision. The leading diagonal parameters, Gv, B, C, D's, compare well with those of 14 NH 3 . The wavenumbers of the assigned transitions are compared with their theoretically predicted values. An improved set of ground state parameters is also derived. These results noticeably improve the wavenumber line list in the high-resolution transmission molecular absorption (HITRAN) database.

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“…The requirements for accurate spectroscopic data driven by these investigations prompted several careful studies on the vibration-rotation-inversion energy levels of ammonia and its isotopologues over extended frequency and temperature ranges, both experimental and theoretical [10][11][12][13][14][15][16][17][18][19][20][21][22][23][24].…”

Section: Introductionmentioning

confidence: 99%

Perturbation allowed transitions in the infrared spectrum of ¹⁴ND₃: determination of the K-dependent parameters in the ground state

et al. 2018

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Accurate values of the K-dependent constants (i) C, (i) D K and (i) H K in the ground state of 14 ND 3 , with i = s, a , have been determined for the first time thanks to the detections of 'perturbation allowed' transitions in the ν 1 , ν 2 , ν 3 , ν 4 , and 2ν 4 infrared bands. The rotation-inversion and inversion transitions from the literature, together with 7289 ground state combination differences from the infrared vibration-rotation-inversion transitions have been simultaneouslyanalysed. The adopted rotation-inversion Hamiltonian includes distortion constants up to the 8th power and the ∆k = ±3 and ∆k = ±6 interaction terms.Precise values of the diagonal constants and of the ∆k = ±3 interaction coefficients have been obtained. Accurate values of the ground state term values have been calculated for both s and a levels up to J = 21.

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High-resolution room temperature and jet-cooled spectroscopic investigation of 15NH3 in the ν1+ν3 band region (1.51 μm)

Cited by 3 publications

References 41 publications

Overtone spectroscopy of molecular complexes containing small polyatomic molecules

Overtone spectroscopy of molecular complexes containing small polyatomic molecules

The v2 = 1, 2 and v4 = 1 bending states of 15NH3 and their analysis at experimental accuracy

Perturbation allowed transitions in the infrared spectrum of ¹⁴ND₃: determination of the K-dependent parameters in the ground state

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High-resolution room temperature and jet-cooled spectroscopic investigation of 15NH3 in the ν1+ν3 band region (1.51 μm)

Cited by 3 publications

References 41 publications

Overtone spectroscopy of molecular complexes containing small polyatomic molecules

Overtone spectroscopy of molecular complexes containing small polyatomic molecules

The v2 = 1, 2 and v4 = 1 bending states of 15NH3 and their analysis at experimental accuracy

Perturbation allowed transitions in the infrared spectrum of 14ND3: determination of the K-dependent parameters in the ground state

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Perturbation allowed transitions in the infrared spectrum of ¹⁴ND₃: determination of the K-dependent parameters in the ground state