New VISTA on ammonia in the 1.5μm region: Assignments for the ν3+2ν4 bands of 14NH3 and 15NH3 by isotopic shift labeling

Lees, R. M.; Li, Li; Xu, Li‐Hong

doi:10.1016/j.jms.2008.03.013

Cited by 35 publications

(28 citation statements)

References 39 publications

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“…For 14 NH 3 , there exists a large number of at least partially assigned high-resolution experimental spectra [2,13,20,[29][30][31]38,41,42,45,46,[50][51][52][53][54]57,62,67,69,76,77,79,[84][85][86]88,91,92,95,96,98,99,112,119,[128][129][130]132,135,139,140,142,146,148]. The data from room-temperature measurements are augmented by data from a number of warm (373 K) [31,46], hot (up to 1640 K) [129,135,137,…”

Section: Experimental Data and Data Treatmentmentioning

confidence: 99%

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MARVEL analysis of the measured high-resolution spectra of 14NH3

Derzi

Furtenbacher

Tennyson

et al. 2015

Journal of Quantitative Spectroscopy and Radiative Transfer

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a b s t r a c tAccurate, experimental rotational-vibrational energy levels and line positions, with associated labels and uncertainties, are reported for the ground electronic state of the symmetric-top 14 NH 3 molecule. All levels and lines are based on critically reviewed and validated high-resolution experimental spectra taken from 56 literature sources. The transition data are in the 0.7-17 000 cm À 1 region, with a large gap between 7000 and 15 000 cm À 1 . The MARVEL (Measured Active Rotational-Vibrational Energy Levels) algorithm is used to determine the energy levels. Out of the 29 450 measured transitions 10 041 and 18 947 belong to ortho-and para-14 NH 3 , respectively. A careful analysis of the related experimental spectroscopic network (SN) allows 28 530 of the measured transitions to be validated, 18 178 of these are unique, while 462 transitions belong to floating components. Despite the large number of spectroscopic measurements published over the last 80 years, the transitions determine only 30 vibrational band origins of 14 NH 3 , 8 for ortho-and 22 for para-14 NH 3 . The highest J value, where J stands for the rotational quantum number, for which an energy level is validated is 31. The number of experimental-quality ortho-and para-14 NH 3 rovibrational energy levels is 1724 and 3237, respectively. The MARVEL energy levels are checked against ones in the BYTe firstprinciples database, determined previously. The lists of validated lines and levels for 14 NH 3 are deposited in the Supporting Information to this paper. Combination of the MARVEL energy levels with first-principles absorption intensities yields a huge number of experimental-quality rovibrational lines, which should prove to be useful for the understanding of future complex high-resolution spectroscopy on 14 NH 3 ; these lines are also deposited in the Supporting Information to this paper.

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Section: Experimental Data and Data Treatmentmentioning

confidence: 99%

“…(IIz) 08LeLiXu [119]: ECTDL spectra recorded from 6400 to 6808 cm À 1 . This paper uses VISTA, a vibrational isotopic shift technique, for assignment, for classifying spectral lines into their respective absorption bands from their fingerprint isotopic shifts.…”

Section: Comments On the Data Sourcesmentioning

confidence: 99%

MARVEL analysis of the measured high-resolution spectra of 14NH3

Derzi

Furtenbacher

Tennyson

et al. 2015

Journal of Quantitative Spectroscopy and Radiative Transfer

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“…Alongside these advancements in theory over the past 10 years, have come the first serious attempts at wide-scale characterisation of NH 3 above 50 0 0 cm −1 . Several notable works in the 1.5 μm region being those of Xu, Lees and co-workers [18][19][20] , and Sung et al [14] . In just the past 3 years there has been considerable progress above 70 0 0 cm −1 , largely due to the discovery, and subsequent analysis of the 1980 high resolution Kitt Peak spectrum by Barton et al [21,22] and Zobov et al [23] .…”

Section: Introductionmentioning

confidence: 99%

Improved potential energy surface and spectral assignments for ammonia in the near-infrared region

Coles

Ovsyannikov

Polyansky

et al. 2018

Journal of Quantitative Spectroscopy and Radiative Transfer

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“…Experimentally the ro-vibrational spectra of 15 NH 3 have been studied in a large number of works, including rotation-inversion spectrum [12][13][14][15][16][17], fundamental bands [18][19][20][21][22][23][24][25][26][27], overtone bands [28][29][30][31][32][33], hot bands [34][35][36][37], and intensity measurements [38][39][40][41]. Some of these data are now collected in the HITRAN database [42].…”

Section: Introductionmentioning

confidence: 99%

A theoretical room-temperature line list for 15NH3

Yurchenko

2015

Journal of Quantitative Spectroscopy and Radiative Transfer

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A new room temperature line list for 15 NH 3 is presented. This line list comprised of transition frequencies and Einstein coefficients has been generated using the 'spectroscopic' potential energy surface NH3-Y2010 and an ab initio dipole moment surface. The 15 NH 3 line list is based on the same computational procedure used for the line list for 14 NH 3 BYTe reported recently and should be as accurate. Comparisons with experimental frequencies and intensities are presented.The synthetic spectra show excellent agreement with experimental spectra.

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New VISTA on ammonia in the 1.5μm region: Assignments for the ν3+2ν4 bands of 14NH3 and 15NH3 by isotopic shift labeling

Cited by 35 publications

References 39 publications

MARVEL analysis of the measured high-resolution spectra of 14NH3

MARVEL analysis of the measured high-resolution spectra of 14NH3

Improved potential energy surface and spectral assignments for ammonia in the near-infrared region

A theoretical room-temperature line list for 15NH3

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