Synthesis, Structure, Spectroscopic Properties, and Magnetic Properties of an Octakis(Alkylthio)-Substituted Lutetium(III) Bisphthalocyanine

The synthesis of a new sandwich lutetium(III) bisphthalocyanine substituted with hexylthio groups (1), [(C6H13S)8Pc]2Lu, is described. The compound is very soluble in most common organic solvents and has been fully
characterized (elemental analysis, IR, 1H and 13C NMR, UV−vis spectroscopy, mass spectrometry). The chemically
oxidized and reduced forms have been formed and characterized. The crystal structure of the compound (1) has
been determined by X-ray diffraction on a single crystal. It crystallizes in the monoclinic space group C2/c with
a = 31.558(2) Å, b = 32.755(2) Å, c = 20.489(1) Å, β = 127.119(1)°, and Z = 4. The temperature dependence
of the magnetic susceptibility, measured on polycrystalline samples and in the range 6−300 K, is in agreement
with one unpaired electron per molecular unit as found for the unsubstituted derivative. The magnetic results can
be modeled assuming one-dimensional chain of spin S = 1/2 with g = 2.04 and an antiferromagnetic coupling (J
= −11.83 cm-1, H = −2J∑SiSj).