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The Knight shifts and hyperfine structure constants of Tl2Ba2CuO6+yare theoretically studied from the high order perturbation formulas of these quantities for a tetragonally elongated octahedral 3d9cluster. The calculation results reveal good agreement with the observed values. The obvious anisotropies of the Knight shifts can be ascribed to the local tetragonal elongation of the Cu2+site. The results and the local structure of the system are discussed.

The g factors for the cubic Fe+centers in LiF and NaF are theoretically investigated from the perturbation formula of the g factor for an octahedral 3d7cluster including the contributions from the ligand orbital and spin-orbit coupling interactions. The increasing order of the g factor (i.e., LiF < NaF) can be ascribed to the decrease in covalency and the strength of cubic crystal-field of the systems. The validity of the results is discussed.

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