A theoretical room-temperature line list for 15NH3

Yurchenko, Sergei N.

doi:10.1016/j.jqsrt.2014.10.023

Cited by 48 publications

(31 citation statements)

References 67 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…These term values were used to compute the TIPS by direct summation. The TIPS calculated here agree with the values given by Yurchenko et al [56] and Yurchenko et al [57], which are reported to 1600 and 2000 K, respectively. The TIPS are converged to 6000 K. Table 2 shows that for the 14 NH 3 isotopologue there is little difference at the temperatures of the TIPS_2011 study.…”

Section: Ammoniasupporting

confidence: 91%

See 1 more Smart Citation

Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond

Gamache

Roller

Lopes

et al. 2017

Journal of Quantitative Spectroscopy and Radiative Transfer

Self Cite

146

View full text Add to dashboard Cite

Total internal partition sums (TIPS) are reported for 166 isotopologues of 51 molecules important in planetary atmospheres. Molecules 1 to 50 are taken from the HITRAN2016 list, and, in some cases, additional isotopologues are considered for some of the molecules. Molecules 51-53 are C 3 H 4 , CH 3 , and CS 2 , respectively. TIPS are not reported for the O atom and CF 4 ; thus, while there are 53 molecules in the list, data are reported for 51 molecules. The TIPS are determined by various methods from 1 K to a T max that ensures the TIPS reported have converged. These data are provided with HITRAN2016 and a new version of the TIPS code is available in both FORTRAN and python languages.

show abstract

Section: Ammoniasupporting

confidence: 91%

“…The term values for 14 NH 3 are from Yurchenko et al [56] and those for 15 NH 3 are from Yurchenko et al [57]. The term values are complete to 35 332 and 29 851 cm -1 for the 14 NH 3 and 15 NH 3 isotopologues, respectively.…”

Section: Ammoniamentioning

confidence: 99%

Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond

Gamache

Roller

Lopes

et al. 2017

Journal of Quantitative Spectroscopy and Radiative Transfer

Self Cite

146

View full text Add to dashboard Cite

show abstract

“…We included absorption by H 2 O, CH 4 , CO, CO 2 , NH 3 , PH 3 , H 2 S, HCN, K, Na, FeH, TiO, and VO. We used HITEMP 2010 for H 2 O, CO, and CO 2 (Rothman et al 2010); TheoReTS for CH 4 (Rey et al 2018); and ExoMol for NH 3 and PH 3 (Coles et al 2019;Yurchenko 2015;Sousa-Silva et al 2015).…”

Section: The Lmd Generic Gcmmentioning

confidence: 99%

Formation and dynamics of water clouds on temperate sub-Neptunes: the example of K2-18b

Charnay

Blain

Bézard

et al. 2021

A&A

View full text Add to dashboard Cite

Context. Hubble Space Telescope (HST) spectroscopic transit observations of the temperate sub-Neptune K2-18b were interpreted as the presence of water vapour with potential water clouds. 1D modelling studies also predict the formation of water clouds in K2-18b’s atmosphere in some conditions. However, such models cannot predict the cloud cover, which is driven by atmospheric dynamics and thermal contrasts, and thus neither can they predict the real impact of clouds on spectra. Aims. The main goal of this study is to understand the formation, distribution, and observational consequences of water clouds on K2-18b and other temperate sub-Neptunes. Methods. We simulated the atmospheric dynamics, water cloud formation, and spectra of K2-18b for a H2-dominated atmosphere using a 3D general circulation model. We analysed the impact of atmospheric composition (with metallicity from 1× solar to 1000× solar), concentration of cloud condensation nuclei, and planetary rotation rate. Results. Assuming that K2-18b has a synchronous rotation, we show that the atmospheric circulation in the upper atmosphere essentially corresponds to a symmetric day-to-night circulation with very efficient heat redistribution. This regime preferentially leads to cloud formation at the sub-stellar point or at the terminator. Clouds form at metallicity ≥100× solar with relatively large particles (radius = 30–450 μm). At 100–300× solar metallicity, the cloud fraction at the terminators is small with a limited impact on transit spectra. At 1000× solar metallicity, very thick clouds form at the terminator, greatly flattening the transit spectrum. The cloud distribution appears very sensitive to the concentration of cloud condensation nuclei and to the planetary rotation rate, although the impact on transit spectra is modest in the near-infrared. Fitting HST transit data with our simulated spectra suggests a metallicity of ~100–300× solar, which is consistent with the mass-metallicity trend of giant planets in the Solar System. In addition, we found that the cloud fraction at the terminator can be highly variable in some conditions, leading to a potential variability in transit spectra that is correlated with spectral windows. This effect could be common on cloudy exoplanets and could be detectable with multiple transit observations. Finally, the complex cloud dynamics revealed in this study highlight the inherent 3D nature of clouds shaped by couplings between microphysics, radiation, and atmospheric circulation.

show abstract

“…Yurchenko et al published two 14 NH 3 linelists [174,176] and one for 15 NH 3 [177], computed using variational nuclear motion procedures outlined below. The initial 14 NH 3 linelist [176] is only valid for applications up to 300 K, while their hot 14 NH 3 linelist [174], which they named BYTe, is more extensive, more accurate, and more useful for higher temperatures; thus, only BYTe will concern us here.…”

Section: Bytementioning

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

Self Cite

View full text Add to dashboard Cite

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.

show abstract

A theoretical room-temperature line list for 15NH3

Cited by 48 publications

References 67 publications

Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond

Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond

Formation and dynamics of water clouds on temperate sub-Neptunes: the example of K2-18b

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

Contact Info

Product

Resources

About