The absorption spectrum of an electron solvated in sodalite
- 1 March 1992
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (5) , 3495-3502
- https://doi.org/10.1063/1.461903
Abstract
We use a simple model to study the color change taking place when sodium atoms are absorbed in the zeolitesodalite. The Hamiltonian is that of an electron moving in the electrostatic field created by the ions in the zeolite framework and by the alkali ion core. We examine the sensitivity of the absorptionspectrum on the magnitude of framework charges, the orientation of the Na4 cluster in the sodalite cells, the localization of the electron, the nature of the alkali impurity (Li, Na, K), and the laser polarization. Comparisons with the experiment help decide which framework charge models are consistent with the absorptionspectrum.Keywords
This publication has 26 references indexed in Scilit:
- Potential maps of methane, water, and methanol in silicaliteThe Journal of Physical Chemistry, 1990
- A time-dependent interpretation of the absorption spectrum of CH3ONOThe Journal of Chemical Physics, 1990
- Dynamics of Electron Localization, Solvation, and Migration in Polar Molecular ClustersPhysical Review Letters, 1989
- Femtosecond studies of electron-cation geminate recombination in waterThe Journal of Physical Chemistry, 1989
- Dynamics and excitations of a solvated electron in molecular clustersPhysical Review A, 1988
- Behavior of the hydrated electron at different temperatures: structure and absorption spectrumThe Journal of Physical Chemistry, 1988
- Electron localization in water clusters. I. Electron–water pseudopotentialThe Journal of Chemical Physics, 1988
- Intrinsic framework electronegativity: A novel concept in solid state chemistryThe Journal of Chemical Physics, 1987
- Quantum corrections to classical photodissociation modelsThe Journal of Chemical Physics, 1978
- The calculation of crystal energies as an aid in structural chemistry. I. A semi-empirical potential-field model with atomic constants as parametersActa Crystallographica Section A, 1976