Search results for "effet Stark"
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Rovibrational spectroscopy of ethylene : Stark effect : Application to ethylene in zeolites
2010
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…
ROVIBRATIONAL AND STARK SPECTROSCOPY OF THE X2Y4MOLECULES. APPLICATION TO ETHYLENE
2005
This thesis is devoted to the spectroscopy of ethylene in the aim of studying the molecule trapped in zeolites. The first part deals with the tensorial model adapted to the symmetry of the isolated molecule: formalism, Hamiltonian and transition moments. To take the strong electric fields existing into zeolites into account, an extension of the model to the Stark effect is proposed in the second part. The third part describes the programs of the D2hTDS software which have been built for the calculation and analysis of X2Y4-type molecule spectra. The fourth part presents applications to the calculation and analysis of zero-field and Stark ethylene spectra. In particular, the model has been t…
From the spherical top to the asymmetric top
2004
This habilitation report presents a synthesis of my research work during the last 14 years. I have distinguished my experimental activities (part III), my theoretical work on the spectroscopy of quasi-spherical tops (part IV) and that concerning the spectroscopy of molecules trapped in solids (part V).