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)(8)-Pc](2)Lu, is described. The compound is very soluble in most common organic solvents and has been fully characterized (elemental analysis, IR, H-1 and C-13 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) Angstrom, b = 32.755(2) Angstrom, c = 20.489(1) Angstrom, beta = 127.119(1)degrees, 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 SigmaS(i)S(j)).