We report a density-functional calculation that predicts for iron(II) phthalocyanine (FePc) an unusual orbitally degenerate intermediate-spin ground state ³Eg. The calculated Fe L2,3 near-edge x-ray absorption spectrum agrees reasonably with experiment, whereas the presence of an unquenched orbital moment is corroborated by a recent discovery in α-FePc of a very large hyperfine field of positive sign [Filoti et al., Phys. Rev. B 74, 134420 (2006)]. It is suggested that the orbital moment of FePc should be observed more directly in x-ray magnetic circular dichroism experiments.
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Kuz’min et al. (2009) studied this question.
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