Abstract
The isotopic change of the magnetic shielding for a μ+ in HBr is computed from first principles, using a cellular cluster multiple scattering method, for condensed matter, and for the free molecules.
The isotope shift and the chemical shift in liquid Br2 is evaluated with the obtained eigenfunctions and eigenvalues using Ramsey formalism. The computed isotope chemical shifts are comparable with the results of breskman and Kanofsky and of Williams and the solvent effect has the correct sign and order of magnitude.
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The use of the cellular geometry is further discussed in: Castro M., Garritz A., Gazquez G. and Keller, J., Nota técnica 1977–1, Depto. Quím. Teórica, Facultad de Química U.N.A.M., Mexico (1977).
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Castro, M., Keller, J. & Schenck, A. The isotope chemical shift of μ+ in HBr. Hyperfine Interact 6, 439–442 (1979). https://doi.org/10.1007/BF01028833
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DOI: https://doi.org/10.1007/BF01028833