Spherical Top Spectra

Champion, Jean‐Paul; Loëte, M.; Pierre, G.

doi:10.1016/b978-0-12-580645-9.50009-5

Cited by 113 publications

(166 citation statements)

References 109 publications

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“…These methods have already been explained for example in Refs. [18,19,21]. Only the basic principles and their application to the case of a tetrahedral molecule are recalled here.…”

Section: Theoretical Modelmentioning

confidence: 99%

“…High resolution (0.001 cm -1 ) spectra of the ν 2 /ν 4 region of pure 102 RuO 4 have been recorded. Using the tensorial formalism and methods developed previously [18][19][20][21], spectra are analyzed in detail and compared to its heavier analogue, osmium tetroxide [22][23][24]. Assignments are performed up to high J rotational quantum number values.…”

Section: Introductionmentioning

confidence: 99%

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High-resolution infrared spectroscopy and analysis of the ν2/ν4 bending dyad of ruthenium tetroxide

Reymond-Laruinaz

Faye

Boudon

et al. 2017

Journal of Molecular Spectroscopy

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RuO 4 is a heavy tetrahedral molecule of interest in several fields. Due to its chemical toxicity and radiological impact of its 103 and 106 isotopologues, the possible remote sensing of this compound in the atmosphere has renewed interest in its spectroscopic properties. We investigate here, for the first time at high resolution, the bending modes region in the far infrared. High resolution FTIR spectra have been recorded near room temperature, using a specially designed cell and an isotopically pure sample of 102 RuO 4 . New assignments and effective Hamiltonian parameter fits for the main isotopologue ( 102 RuO 4 ) have been performed, treating the whole ν 2 /ν 4 bending mode dyad. We provide precise effective Hamiltonian parameters, including band centers and Coriolis interaction parameters.

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“…These methods have already been explained for example in Refs. [18,19,21]. Only the basic principles and their application to the case of a tetrahedral molecule are recalled here.…”

Section: Theoretical Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

High-resolution infrared spectroscopy and analysis of the ν2/ν4 bending dyad of ruthenium tetroxide

Reymond-Laruinaz

Faye

Boudon

et al. 2017

Journal of Molecular Spectroscopy

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“…Unfortunately, this spectral region is far from being exhaustively modelled at high resolution. On the other hand, it is obvious from the knowledge of the lower polyads of the molecule [10,11] that the harmonic oscillator approximation becomes qualitatively and quantitatively unrealistic. Furthermore, at this temperature, the contribution of higher energy levels cannot be neglected up to around 35 000 cm −1 which is not far from the dissociation limit of methane.…”

Section: Introductionmentioning

confidence: 99%

“…The model developed in the present work combines, in a consistent way, individual and statistical quantum descriptions of the methane spectrum. The lower layers of the energy spectrum are described through the well-proven effective Hamiltonian global approach [12,10,11]. The higher-energy layers are extrapolated and statistically modelled on the basis of appropriate physical approximations.…”

Section: Theoretical Modelmentioning

confidence: 99%

The partition sum of methane at high temperature

Wenger

Champion

Boudon

2008

Journal of Quantitative Spectroscopy and Radiative Transfer

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11 pages, 4 Tables, 3 Figures Computer code on line at http://icb.u-bourgogne.fr/JSP/TIPS.jspInternational audienceThe total internal partition function of methane is revisited to provide reliable values at high temperature. A multi-resolution approach is used to perform a direct summation over all the rovibrational energy levels up to the dissociation limit. A computer code is executable on line at the URL : http://icb.u-bourgogne.fr/JSP/TIPS.jsp to allow the calculation of the partition sum of methane at temperatures up to 3000 K. It also provides detailed information on the density of states in the relevant spectral ranges. The recommended values include uncertainty estimates. It is shown that at the upper limit of 3000 K, the systematic error (underestimation) of previous calculations (HITRAN 2004) reaches -50 % equivalent to a temperature error of the order of +200 K

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“…In this work, we present the first prediction of the combination band of 34 SF 6 , used the tensorial formalism and vibrational extrapolation methods developed in Dijon. These methods have been already explained for example in [1][2][3][4].…”

Section: Introductionmentioning

confidence: 99%