An Analysis of the Vibrational Spectrum of Symmetrically Solvated Alkali Metal Cations.
Technical rept. no. 3, 1 May 77-31 Apr 79,
OAKLAND UNIV ROCHESTER MICH DEPT OF CHEMISTRY
Pagination or Media Count:
This paper presents the results of a theoretical study of the vibrational spectrum of solvated alkali metal cations in DMSO. The systems are investigated with the use of a potential energy function which consists of an electrostatic and a repulsion term. We show that for systems with simple cubic symmetry there is no dependence in the force constant upon electrostatic terms. Thus, the far infrared spectrum provides a probe of the repulsion interaction which operates in the system. Our study shows that the ions of lithium, sodium, and potassium can be regarded as classical point charges. The far infrared spectra of the ions of rubidium and cesium, on the other hand, depend upon dispersion forces dispersion is treated with the use of the Morse function. Finally, lithium and sodium may be considered to be trapped inside an infinitely massive solvent cage. For the remaining ions, reduced mass effects must be considered. Author
- Atomic and Molecular Physics and Spectroscopy