University of Oulu

Internal rotation in symmetric top molecules

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Author: Schroderus, Jyrki1
Organizations: 1University of Oulu, Faculty of Science, Department of Physical Sciences
Format: ebook
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 1.4 MB)
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Language: English
Published: 2004
Publish Date: 2004-11-12
Thesis type: Doctoral Dissertation
Defence Note: Academic Dissertation to be presented with the assent of the Faculty of Science, University of Oulu, for public discussion in Auditorium GO101, Linnanmaa, on November 19th, 2004, at 12 noon
Reviewer: Professor Carlo di Lauro
Professor Lauri Halonen


Internal rotation in symmetric top molecules offers an excellent opportunity to investigate large amplitude motion in a relatively simple intramolecular environment. Due to specific symmetry characteristics of a symmetric top molecular frame, the internal rotation degree of freedom is in the zeroth order approximation separable from the small amplitude vibrations and the overall rotation, thus enabling to characterize the vibrational-torsional-rotational energy structure with a relatively simple Hamiltonian. Lessons from symmetric internal rotor studies may be applied to more complex systems, such as asymmetric internal rotors and macromolecules.

This thesis deals with internal rotation in CH3SiH3, CH3SiD3, CH3CF3 which have become a prototype of symmetric internal rotors. The thesis presents high resolution vibration-torsion-rotation spectra and detailed analysis of these molecules. Particular attention is focused on torsion-mediated interactions, such as Coriolis-type interactions and Fermi-type interactions, coupling the internal rotation and the small amplitude vibrational motion.

The studies show that the expansion of the data to the small amplitude vibrations and inclusion of the torsion-mediated interactions play a crucial role in order to obtain an appropriate characterization of the vibrational-torsional-rotational energy level structure and physically meaningful molecular parameters.

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Series: Acta Universitatis Ouluensis. A, Scientiae rerum naturalium
ISSN-E: 1796-220X
ISBN: 951-42-7567-5
ISBN Print: 951-42-7566-7
Issue: 425
Copyright information: © University of Oulu, 2004. This publication is copyrighted. You may download, display and print it for your own personal use. Commercial use is prohibited.