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Influence of Zero‐point Vibration on the Superhyperfine Interactions of Hydrogen and Deuterium Centres in KCl
Author(s) -
Spaeth J. M.
Publication year - 1969
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.19690340116
Subject(s) - deuterium , ion , chemistry , isotropy , kinetic isotope effect , hydrogen , atom (system on chip) , atomic physics , hydrogen atom , isotope , vibration , nuclear magnetic resonance , crystallography , molecular physics , physics , group (periodic table) , optics , nuclear physics , organic chemistry , quantum mechanics , computer science , embedded system
The superhyperfine (shf) interactions of D i 0centres were measured by ENDOR and compared with those of H i 0centres (H i 0= H atom on interstitial lattice position). The isotropic shf constants of the nearest K and Cl neighbours are smaller for D i 0centres than for H i 0centres: a H (K)/ a D (K) = 1.165 and a H (Cl)/ a D (Cl) = 1.026. In a model calculation it is shown that the large difference in isotope effect of the K and Cl neighbours can be understood as a consequence of the overlaps of their ion cores. At least 30% of a H (K) and 10% of a H (Cl) are only due to zero‐point vibration of the H atom.