A statistical model of the solvated electron in polar media: the point-dipole approximation

A statistical model of the solvated or trapped electron in polar media is proposed. The model is based on the assumption of a statistical variety of electron traps in disordered media. The point-dipole approximation has been assumed for the matrix molecules. The energy of an electron state in the tr...

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Bibliographic Details
Published in:Journal of physical chemistry (1952) 1990-08, Vol.94 (16), p.6165-6171
Main Authors: Hilczer, Maria, Bartczak, Witold M
Format: Article
Language:English
Subjects:
400201 - Chemical & Physicochemical Properties
ABSORPTION SPECTRA
Atomic and molecular physics
CALCULATION METHODS
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Electronic structure of atoms, molecules and their ions: theory
ELECTRONS
ELEMENTARY PARTICLES
ENERGY LEVELS
Exact sciences and technology
FERMIONS
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
LEPTONS
MATHEMATICAL MODELS
MATHEMATICS
NUMERICAL ANALYSIS
Physics
POLAR COMPOUNDS
SOLVATED ELECTRONS
SPECTRA
STATISTICAL MODELS
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Summary:A statistical model of the solvated or trapped electron in polar media is proposed. The model is based on the assumption of a statistical variety of electron traps in disordered media. The point-dipole approximation has been assumed for the matrix molecules. The energy of an electron state in the trap is expressed as a function of random variables which are related to the local structure of the trap: (1) the sum of the cosines of the orientation angles of the trap dipoles: (2) the average distance of the dipoles from the trap center. The distributions of the energy level and the optical absorption spectra of the solvated electron are expressed in terms of the distributions of these random variables. Numerical calculations were performed for the matrix parameters which correspond to liquid methanol. The relative importance of the orientational disorder and the topological disorder is discussed on the basis of results for the model distributions of the random variables.
ISSN:0022-3654
1541-5740
DOI:10.1021/j100379a006