Phosphine spectrum at 4–5 μm: Analysis and line-by-line simulation of 2ν2, ν2 + ν4, 2ν4, ν1, and ν3 bands

Tarrago, G.; Lacome, N.; Lévy, A.; Guelachvili, G.; Bézard, Bruno; Drossart, P.

doi:10.1016/0022-2852(92)90026-k

Cited by 59 publications

(62 citation statements)

References 16 publications

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“…A great majority of the experimental data tted in the present work were already assigned and tted in previous works [1,3,7]. However, as mentioned earlier, the transfer of these assignments in our model could not be done in a fully automatic way on the basis of the usual approximate quantum numbers.…”

Section: Resultsmentioning

confidence: 77%

“…The present global study essentially used experimental data already exploited in previous separate works [1,2,3, 4, 7]. Table 1 The Kitt Peak spectra had been recorded specically for the Octad study, but as seen in Fig.…”

Section: Methodsmentioning

confidence: 99%

“…As part of extensive eorts to support remote sensing of Jupiter and Saturn many works have been devoted to the high-resolution infrared spectrum of phosphine [1,2,3, 4, 5, 6, 7]. Recent works focused on the 3 µm region reported experimental measurements and assignments [5, 7], but so far no comprehensive modeling was reported.…”

Section: Introductionmentioning

confidence: 99%

“…Computer les of the more recent Dyad [4] and Octad [7] data were readily available, but for the Tarrago et al [1] 1992 Pentad study, only the line positions used in the modeling could be accessed electronically.…”

Section: Introductionmentioning

confidence: 99%

“…The positions from Dyad [2] and Octad [7] had been calibrated using reliable frequency standards (Dyad: OCS and N 2 O from Maki and Wells [22]; Octad: 2−0 CO from Pollock et al [23]), but the calibration standard used by Tarrago et al [1] for the Pentad positions was not given. Nevertheless, the observed 2ν 2 positions from Tarrago were consistent within 0.001 cm −1 with values retrieved from Kitt Peak PH 3 spectra calibrated using the 1−0 band of CO [22].…”

Section: Introductionmentioning

confidence: 99%

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Global modeling of the lower three polyads of PH3: Preliminary results

Nikitin

Champion

Butler

et al. 2009

Journal of Molecular Spectroscopy

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In order to model the high-resolution infrared spectrum of the phosphine molecule in the 3 µm region, a global approach involving the lower three polyads of the molecule (Dyad, Pentad and Octad) as been applied using an eective hamiltonian in the form of irreducible tensors. This model allowed to describe all the 15 vibrational states involved and to consider explicitly all relevant ro-vibrational interactions that cannot be accounted for by conventional perturbation approaches.2245 levels (up to J = 14) observed through transitions arising from 34 cold and hot bands including all available existing data as well as new experimental data have been tted simultaneously using a unique set of eective hamiltonian parameters.The rms achieved is 0.63 × 10 µm by dividing the rms reported by previous works by a factor 6. A preliminary intensity analysis based on consistent sets of eective dipole moment operators for cold and hot bands has been simultaneously undertaken for direct comparison between observed and modeled absorption from 700 to 3500 cm −1 .Keywords : Phosphine ; PH 3 ; Vibrational polyads ; Global modeling ; Near infrared ; High-resolution ; Positions ; Intensities IntroductionAs part of extensive eorts to support remote sensing of Jupiter and Saturn many works have been devoted to the high-resolution infrared spectrum of phosphine [1,2,3, 4, 5, 6, 7]. Recent works focused on the 3 µm region reported experimental measurements and assignments [5, 7], but so far no comprehensive modeling was reported.1 hal-00355701, version 1 -23 Jan 2009 At present, the line parameters of phosphine (positions and intensities) in the 3 µm region rely essentially on the empirical database reported in Ref. [7] and included in HITRAN [8] and GEISA [9]. In the spectral region from 2700 to 3500 cm −1 , the HITRAN compilation contains over 3000 unassigned PH 3 lines with intensities ranging from 1. × 10 −25 to 1.5 × 10 −22 cm×molecule −1 . Moreover, only one hot band arising from the upper state of ν 2 is included. The main reason for this lack of modeling is the fundamental limitation of conventional perturbation approaches. So far, only weakly interacting features could be tted using isolated band models while strongly interacting states were left out. In fact, apart from degeneracy considerations, due to the quasi spherical character of the inertia tensor of the molecule and to specic quasi coincidences among its vibrational fundamental frequencies, the vibrational pattern of the phosphine molecule is quite similar to that of the methane molecule. The phosphine molecule was then a good candidate for the global approach successfully developed for spherical tops [10,11] and extensively applied to other complex band systems encountered in polyatomic molecules [12,13,14]. The vibrational spectrum of PH 3 and its isotopomers has also been investigated by ab initio calculations [15,16,17,18]. Recent works have reported ab initio vibrational energies [19,20] and theoretical transition moments [21]. The experimental data involv...

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Section: Resultsmentioning

confidence: 77%

Section: Methodsmentioning

confidence: 99%