Some properties of the spectra of asymmetric molecules

Authors
Citation
E. Pina, Some properties of the spectra of asymmetric molecules, J MOL ST-TH, 493, 1999, pp. 159-170
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
493
Year of publication
1999
Pages
159 - 170
Database
ISI
SICI code
0166-1280(199912)493:<159:SPOTSO>2.0.ZU;2-B
Abstract
The Schrodinger equation of the rigid asymmetric molecule is generally expr essed in terms of the Euler's angles. The energy eigenfunctions can also be eigenfunctions of the square of the angular momentum vector, and one of th e components of the angular momentum in the inertial frame. In this paper, properties of the angular momentum spectra are used for suppressing this la st constant of motion and an Euler's angle with no loss of generality. The Schrodinger equation and the energy eigenfunctions are expressed in ter ms of spheroconal coordinates in which this equation becomes separable. Pro perties of the wave equation are also analysed that includes sum rules of t he energy levels and selection rules for the rotation spectra. Finally, som e properties of the most asymmetric case are also presented. (C) 1999 Elsev ier Science B.V. All rights reserved.