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Strategies for Advanced Applications of Permutation-Inversion Groups to the Microwave Spectra of Molecules with Large Amplitude Motions

Published

Author(s)

Jon T. Hougen

Abstract

This article presents permutation-inversion group-theoretical strategies and recipes that will help a high-resolution molecular spectroscopist attempting to use the existing pedagogical literature to carry out their own treatment of the basic symmetry questions in rotating molecules with large-amplitude vibrational motions. Topics addressed include determination of the feasible permutation-inversion group and its symmetry species and character table, a general equation defining coordinates that can describe translation, overall rotation, large-amplitude vibrations and small-amplitude vibrations for a large class of floppy molecules, and the determination of symmetry species for basis functions and selection rules for operators written in these coordinates. The article is intended to be more advanced than existing pedagogical works, but it still leaves many important topics untreated.
Citation
Journal of Molecular Spectroscopy
Volume
256

Keywords

character table, feasible permutation-inversions, group theory, molecule-fixed coordinates, PI symmetry operations, selection rules

Citation

Hougen, J. (2009), Strategies for Advanced Applications of Permutation-Inversion Groups to the Microwave Spectra of Molecules with Large Amplitude Motions, Journal of Molecular Spectroscopy, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=901502 (Accessed April 13, 2024)
Created May 4, 2009, Updated June 2, 2021