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Theses

SPECTROSCOPIE ROVIBRATIONNELLE ET STARK DES MOLECULES X2Y4. APPLICATION A L'ETHYLENE

Abstract : 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 tested on the zero-field analysis of the ground state, the nu2 and nu12 bands. A weak field calculation of the nu7 band and a strong field simulation of the nu12 band have been performed, as well as a study of the alignment of the molecule as a function of the field.
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https://tel.archives-ouvertes.fr/tel-00011280
Contributor : Wilfried Raballand <>
Submitted on : Tuesday, January 3, 2006 - 11:02:52 AM
Last modification on : Friday, October 23, 2020 - 4:38:19 PM
Long-term archiving on: : Saturday, April 3, 2010 - 8:01:54 PM

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  • HAL Id : tel-00011280, version 1

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Wilfried Raballand. SPECTROSCOPIE ROVIBRATIONNELLE ET STARK DES MOLECULES X2Y4. APPLICATION A L'ETHYLENE. Physique Atomique [physics.atom-ph]. Université de Bourgogne, 2005. Français. ⟨tel-00011280⟩

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