Temperature dependence of the pure rotational band of HD: Interference, widths, and shifts

Lu, Zheng; Tabisz, G. C.; Ulivi, Lorenzo

doi:10.1103/physreva.47.1159

Cited by 16 publications

(13 citation statements)

References 42 publications

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“…When comparable, the results of our calculations are in good agreement with the radiative close coupling values of Gustafsson and Frommhold (2001a) and the CC values of Schaefer and Monchick (1992) despite that different PESs were used. On the contrary, the agreement is not satisfying with the experimental values of Tabisz and coworkers (Drakopoulos and Tabisz 1987;Ulivi et al 1989;Lu et al 1993), the agreement being slightly better for the shifts of the R 0 (0) and R 0 (1) lines. We have no in Appendix A.…”

Section: Collision Integrals and Line Shape Parameterscontrasting

confidence: 76%

“…Thus the allowed lines sit on a broad collision-induced background. In the course of these studies the standard pressure broadening and shift coefficients of the first pure rotational lines were measured at 77, 195 and 295 K (Drakopoulos and Tabisz 1987;Ulivi et al 1989;Lu et al 1993). More recently, Gustafsson and Frommhold (2001a,b) revisited this problem using the radiative close coupling theory where only binary collisions are accounted for.…”

Section: Introductionmentioning

confidence: 99%

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Line-shape parameters for the first rotational lines of HD in He

Thibault

Martínez

Bermejo

et al. 2020

Molecular Astrophysics

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Section: Collision Integrals and Line Shape Parameterscontrasting

confidence: 76%

Section: Introductionmentioning

confidence: 99%

Line-shape parameters for the first rotational lines of HD in He

Thibault

Martínez

Bermejo

et al. 2020

Molecular Astrophysics

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“…Accurate measurements of the wavelengths of the pure rotational transitions of HD are taken from Evenson et al (1988) and Ulivi et al (1991) and remain unchanged. The dipole moment µ of HD is taken now from Table 2 of Lu et al (1993) as a mean value across the four measured rotational transitions R(0) to R(3). This value of µ = 8.21 Debye is then translated into the spectral line intensities given in Table 2.…”

Section: Hd Line Parametersmentioning

confidence: 99%

“…A 1σ uncertainty of ∼3% on the resulting spectral line intensity values is estimated from the scatter in reported dipole moments. Line broadening coefficients γ have been measured by Lu et al (1993) at three different temperatures compared to 295 K only by Drakopoulos & Tabisz (1987a) and Drakopoulos & Tabisz (1987b). The coefficient n that describes the temperature dependence of the half width at half maximum γ was fit to the measured values by…”

Section: Hd Line Parametersmentioning

confidence: 99%

The D/H ratio in the atmospheres of Uranus and Neptune fromHerschel-PACS observations

Feuchtgruber¹,

Lellouch²,

Orton³

et al. 2013

A&A

110

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Herschel-PACS measurements of the rotational R(0) and R(1) HD lines in the atmospheres of Uranus and Neptune are analyzed to derive a D/H ratio with improved precision for the two planets. The derivation of the D/H ratio also includes previous measurements of the R(2) line with the Short Wavelength Spectrometer on board the Infrared Space Observatory (ISO). The available spectroscopic line information of the three rotational transitions is discussed and applied in the radiative transfer calculations. The best simultaneous fit of all three lines requires only a minor departure from the Spitzer temperature profile of Uranus and a departure limited to 2K from the Voyager temperature profile of Neptune (each time around the tropopause). The resulting and remarkably similar D/H ratios for Uranus and Neptune are found to be (4.4 ± 0.4) × 10 −5 and (4.1 ± 0.4) × 10 −5 , respectively. Although the deuterium enrichment in the two atmospheres compared to the protosolar value is confirmed, it is found to be lower compared to previous analyses. Using interior models from the literature and assuming that complete mixing of the atmosphere and interior occured during the planets' history, we derive a D/H in protoplanetary ices between (5.75-7.0) × 10 −5 for Uranus and between (5.1-7.7) × 10 −5 for Neptune. Conversely, adopting a cometary D/H for the protoplanetary ices between (15-30) × 10 −5 , we constrain the interior models of the two planets to have an ice mass fraction of 14-32%, i.e., the two planets are rock-dominated.

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“…We have studied the HD dipole moment in the ground state in one of our previous works 2 and the dipole-moment value obtained there agreed very well with the experimental value of 3.19(±0.055) × 10 −4 a.u. 3 Due to the non-zero dipole moment, pure rotational transitions in the HD molecule are visible in the experiment, though they are very weak. The charge asymmetry makes the HD molecule an interesting model for testing high-level quantum-mechanical methods.…”

Section: Introductionmentioning

confidence: 98%

Charge asymmetry in the rovibrationally excited HD molecule

Kirnosov

Sharkey

Adamowicz

2014

The Journal of Chemical Physics

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The recently developed method for performing all-particle non-Born-Oppenheimer variational calculations on diatomic molecular systems excited to the first excited rotational state and simultaneously vibrationally excited is employed to study the charge asymmetry and the level lifetimes of the HD molecule. The method uses all-particle explicitly correlated Gaussian functions. The nonlinear parameters of the Gaussians are optimized with the aid of the analytical energy gradient determined with respect to these parameters.

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Temperature dependence of the pure rotational band of HD: Interference, widths, and shifts

Cited by 16 publications

References 42 publications

Line-shape parameters for the first rotational lines of HD in He

Line-shape parameters for the first rotational lines of HD in He

The D/H ratio in the atmospheres of Uranus and Neptune fromHerschel-PACS observations

Charge asymmetry in the rovibrationally excited HD molecule

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