NUCLEAR QUADRUPOLE RESONANCE ZEEMAN STUDY OF $BaCl_{2}\cdot2H_{2}O$
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Date
1971
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Publisher
Ohio State University
Abstract
The Zeeman splittings of the nuclear quadrupole resonance transition at 16.303 MHz in a single crystal of barium chloride dihydrate, $BaCl_{2}\cdot2H_{2} O$ has been studied and the zero-splitting loci for both physically non-equivalent lattice sites have been determined. From the study it was found that the nuclear quadrupole coupling constant is $e^{2}Qq_{xx}$ = 29.8 MHz and that the asymmetry parameter is $\eta = 0.77$. The direction of the electric field gradient (EFG) principal axis system relative to the crystal axis system was found. The magnitudes and directions of the EFG tensor components were calculated by using a point charge-point dipole model and isotropic polarizabilities. By using a projected Sternheimer factor of -80 this leads to a calculated coupling constant of 60 MHz and an asymmetry parameter of 0.$A$1. Both the experimental and calculated values of the parameters are in agreement with the crystal symmetry. In view of the simplifications inherent in the model used this represents reasonable agreement.
Description
Author Institution: Department of Chemistry, Virginia Polytechnic Institute and State University