Paramagnetic Resonance Spectra of Se2− and SSe− in the Alkali Iodides

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Abstract
The impurity ions Se2− and SSe− have been introduced into NaI and KI and detected by their paramagnetic resonances. The g factors of these centers are highly anisotropic; in KI, for example, the principal g factors of Se2− are 3.7079, 0.7824, and 0.7698. The first of these corresponds to the Se–Se bond direction (z), which was found to be parallel to the {110} directions in the crystal. The direction of minimum g has been associated with the direction of the pπ orbitals occupied by the unpaired electron (x), and was found to be parallel to {100} directions in the crystal. In NaI the largest 77Se hyperfine interaction in Se2− and SSe− was txx, but in KI tzz was the largest. This is thought to be due to the L·I/r3 term in the hyperfine Hamiltonian, since the contribution of this term to tzz is proportional to gzz−ge.

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