Abstract
The results of measuring the quadrupole coupling constants and asymmetry parameters at deuterium and metal sites in amorphous BeD2, crystalline α-MgD2, and crystalline α-AlD3 by solid state NMR, as well as the results of ab initio Hartree–Fock calculations of the EFG tensors at hydrogen and metal positions for some (BenHm), (MgnHm), and (AlnHm) clusters, are reported. It have been found that the magnitude of the EFG at the hydrogen sites is more than an order of magnitude larger than at the metal sites. The sign, amplitude, and asymmetry parameter at hydrogen depend on the M–H–M angle.
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