Experimental and theoretical investigation of the Li is spectra of molecular lithium halides |
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| Authors: | K. Radler B. Sonntag T.C. Chang W.H.E. Schwarz |
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| Affiliation: | II. Institut für Experimentalphysik der Universität Hamburg, and Deutsches Elektronen-Synchrotron DESY, 2 Hamburg 52, Germany;Lehrstuhl für Theoretische Chemie der Universität Bonn, 53 Bonn, Germany |
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| Abstract: | The Li 1s absorption spectra of molecular LiF and LiCl have been studied for the first time by experimental as well as by theoretical methods. The strong absorption bands at the onset of the Li 1s excitations can qualitatively be interpreted in terms of a simple ionic model. The spectra are analyzed and assigned in more detail on the basis of SCF and Cl calculations, and also within the framework of the Z + 1 core analogy model. The limitations of this model are discussed. Li 1s ionization potentials of LiF, Li2F2, LiCl, and Li2Cl2 are derived. |
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