Reaction of cobalt powder with iodine activated by tetraphenyldithioimidodiphosphorane (LH).: Crystal structure of CoL2

The reaction of cobalt powder with iodine activated by tetraphenyldithioimidodiphosphorane (Ph2P(S)NHP(S)Ph-2) (LH) gives the complex CoL2 (1). Its solid-state structure [triclinic, space group P (1) over bar (No.2), Z = 2, a = 13.321(2)Angstrom, b = 13.872(2) Angstrom, c = 14.394(3) Angstrom, alpha = 82.500(10)degrees, beta = 65.950(10)degrees, gamma = 69.640(10)degrees] comprises discrete, monomeric molecules where a Co-II ion is coordinated to four sulphur atoms by two bidentate anionic ligands L in a distorted tetrahedral CoS4 core. The electrochemistry of LH . I-2 and CoL2 has been studied by cyclic voltammetry. FT-IR, Raman, P-31-NMR spectro scopies, are in accordance with the structural features of the complex. Hybrid-DFT calculations have been used to gain an insight on the pi properties of LH and L.