Stark Effect Using Tensorial Formalism in the D2h Group: Application to the C2H4 Molecule

Self and N2 Collisional Broadening of Methane in the THz Region Measured at the SOLEIL Synchrotron

Stark Spectrum Simulation of X2Y4 Asymmetric Molecules: Application to Ethylene in a MFI-Type Host Zeolithe

Simulation du Spectre Stark des Molécules X2Y4 : Application à l'Ethylène dans les Zéolithes

XTDS and SPVIEW: Graphical tools for the analysis and simulation of high-resolution molecular spectra

International audience; XTDS is a Java front-end to the different programs implementing the tensorial formalism developed in the Dijon group [see for instance: V. Boudon, J.-P. Champion, T. Gabard, M. Loëte, F. Michelot, G. Pierre, M. Rotger, Ch. Wenger, M. Rey, J. Mol. Spectrosc. 228 (2004) 620–634 ]. It allows the simulation and analysis of polyad systems for molecules of various symmetries (Td and Oh spherical tops like CH4 and SF6, C2v and C4v quasi-spherical tops like SO2F2 and SF5Cl, D2h molecules like C2H4). SPVIEW is a multiplatform Java application that allows graphical assignment of high-resolution molecular spectra. It is possible to load, display and manipulate experimental and …

Self and N-2 collisional broadening of far-infrared methane lines measured at the SOLEIL synchrotron

International audience; Following our recent study devoted to measurements of intensities of pure rotation lines of methane, room temperature far infrared spectra of methane diluted in nitrogen at five total pressures between 100 and 800 hPa have been recorded at the AILES beamline of the SOLEIL synchrotron. One hundred and five N-2 broadening coefficients of methane pure rotation lines have been measured in the 83-261 cm(-1) spectral range using multi-spectrum non-linear least squares fitting of Voigt profiles. Pressure-induced line shifts were not needed to fit the spectra to the noise level and line mixing effects were neglected. One hundred and seventy-six self broadening coefficients h…

Simulation de l'Effet Stark dans la Bande ν12 de l'Ethylène

Rovibrational spectroscopy of ethylene : Stark effect : Application to ethylene in zeolites

The objective of this report is to present a study as complete as possible of the Stark effect in the asymmetric top molecules of X2Y4 type possessing the D2h symmetry group and to apply it to the problem of the spectroscopy of the ethylene molecule trapped in a zeolite. For the first time, a tensorial formalism adapted to the study of the Stark effect for the O(3) D2h group chain was developed. In parallel, a computer package was worked out as a new generation of software called D2hTDS-ST using a simpler basis, allowing an economy in the calculation time. On the basis of the theoretical and computing tools as well as from the experimental spectra, recorded in the laboratory, we made a firs…