Pressure effects on the quadrupole coupling constant of 7Li in first stage lithium graphite |
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Authors: | C. Marinos S. Plesko J. Jonas J. Conard D. Guerard |
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Affiliation: | Department of Chemistry, School of Chemical Sciences and Materials Research Laboratory, University of Illinois, Urbana, IL 61801, U.S.A.;Centre de Recherche sur les Solides à Organisation Cristalline, Imparfaite, CNRS 1B, rue de la Ferollerie, 45045 Orleans Cedex, France;Laboratoire de Chimie Minerale Appliquee (LCMA), CO 140, 54037 Nancy Cedex, France |
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Abstract: | The pressure dependence of the experimental 7Li NMR spectra is reported for first stage lithium graphite (LiC6) intercalation compound at temperatures T = 232 and 293 K. This experiment together with the presented point charge model calculation of the 7Li quadrupole coupling constant allows an unambiguous determination of the sign of e2qQ/h which is negative: at p = 1 bar and T = 232 K. The averaged location of the electrons transferred from the Li intercalant to the graphite layers, as estimated in this study, is in excellent agreement with earlier theoretical energy-band calculations. The compressibility of LiC6 in the c-direction is predicted to be kc = 1.7 × 10-12cm2dyn-1, it agrees with estimates derived from the available phonon dispersion relations. |
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