Theoretical background and preliminary results of the global modeling of the lower three polyads of PH3 covering the 3 to 10 µm spectral region - Laboratoire interuniversitaire des systèmes atmosphériques Accéder directement au contenu
Communication Dans Un Congrès Année : 2007

Theoretical background and preliminary results of the global modeling of the lower three polyads of PH3 covering the 3 to 10 µm spectral region

Résumé

A recent study reported in 2006 provided an empirical database of PH3 (line positions and intensities) in the 3 μm region. The study was based experimentally on FTIR spectra recorded at Kitt Peak at various optical densities and theoretically on single state fits of features assigned using the ground state combination differences method. The need for a complete analysis of the octad was underlined in order to account for the complex interactions which is expecially important for intensity modeling. The polyad pattern of the PH3 molecule presents close similarities with those of spherical top molecules (like CH4), although the symmetry degeneracies are reduced. The simultaneous analysis of the dyad, pentad and octad of PH3 has been undertaken using an effective hamiltonian in the form of irreducible tensors implemented in the MIRS computer package. In this model, all possible ro-vibrationnal interactions can be considered and all the vibrational states are described by a commun set of hamiltonian parameters. This approach was recently applied to the enneadecad system of CH3D (19 interacting bands). The preliminary and expected results on PH3 will be presented.
Fichier non déposé

Dates et versions

hal-00362819 , version 1 (19-02-2009)

Identifiants

  • HAL Id : hal-00362819 , version 1

Citer

Andrei Nikitin, Jean-Paul Champion, Rebecca Butler, Linda R. Brown, Isabelle Kleiner. Theoretical background and preliminary results of the global modeling of the lower three polyads of PH3 covering the 3 to 10 µm spectral region. The 20th Colloquium on High Resolution Molecular Spectroscopy, Sep 2007, Dijon, France. ⟨hal-00362819⟩
115 Consultations
0 Téléchargements

Partager

Gmail Facebook X LinkedIn More