Spectral-moment constraints on electride-electron locations in the crystalline electride [Cs(18-crown-6)2]
- 15 June 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 45 (24) , 13913-13918
- https://doi.org/10.1103/physrevb.45.13913
Abstract
The inverse-first moment and the first moment of the observed optical-absorption spectrum of the crystalline electride [Cs(18-crown-6] [where (18-crown-6) is ( O] are used to determine rigorous upper and lower bounds for the absolute maximum of the single-particle probability density of a typical constituent electride electron. These bounds sufficiently bracket the contact densitites that are determined from magic-angle-spinning spectra of the pure electride and of its mix-crystals with the isomorphous sodide, [Cs(18-crown-6Na], to indicate that the distribution of the electron most likely is located in the immediate vicinity of a cesium nucleus. Limitations on the number of absorptions in sodide-electride mix-crystals are shown to support such a location.
Keywords
This publication has 15 references indexed in Scilit:
- On the electronic structure of electridesThe Journal of Chemical Physics, 1990
- Electrides: Ionic Salts with Electrons as the AnionsScience, 1990
- Why Do the Electrons Play the Role of Anions in the Electrides?Europhysics Letters, 1990
- Spectral-moment constrained density matrices of maximum entropy for solvated electronsJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1988
- Physical and Chemical Properties of Alkalides and ElectridesAnnual Review of Physical Chemistry, 1987
- Cesium-133 solid-state nuclear magnetic resonance spectroscopy of alkalides and electridesJournal of the American Chemical Society, 1987
- First electride crystal structureJournal of the American Chemical Society, 1986
- Cesium 18-crown-6 compounds. A crystalline ceside and a crystalline electrideJournal of the American Chemical Society, 1983
- Nature of solvated electron absorption spectraJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1979
- Spectral Distribution of Atomic Oscillator StrengthsReviews of Modern Physics, 1968