Synthesis, structure, spectroscopic properties, and magnetic properties ofan 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 compou nd is very soluble in most common organic solvents and has been fully chara cterized (elemental analysis, IR, H-1 and C-13 NMR, UV-vis spectroscopy, ma ss spectrometry). The chemically oxidized and reduced forms have been forme d and characterized. The crystal structure of the compound (1) has been det ermined by X-ray diffraction on a single crystal. It crystallizes in the mo noclinic space group C2/c with a = 31.558(2) Angstrom, b = 32.755(2) Angstr om, c = 20.489(1) Angstrom, beta = 127.119(1)degrees, and Z = 4. The temper ature dependence of the magnetic susceptibility, measured on polycrystallin e samples and in the range 6-300 K, is in agreement with one unpaired elect ron per molecular unit as found for the unsubstituted derivative. The magne tic results can be modeled assuming one-dimensional chain of spin S = 1/2 w ith g = 2.04 and an antiferromagnetic coupling (J = - 11.83 cm(-1), H = -2J SigmaS(i)S(j)).