Abstract
Abstract The synthesis, crystal structure determination and physical properties of two new charge transfer salts containing the azinobisethylbenzothiazoline (ABTS) anion are described. Electrochemical oxidation in water of the diammonium salt of ABTS in presence of calcium chloride yields black single crystals of two new compounds with different morphologies. The needle-like crystals with Ca0.55(ABTS)(H2O)x formula (x depending on the temperature) belong to the monoclinic symmetry, space group C2/c and cell parameters a=21.568(5), b=14.535(5), c=8.0278(17) A, β=108.32(3)° at room temperature and a=22.180(4), b=14.288(3), c=8.0823(16) A, β=108.13(3)°, with a lowering of the symmetry, space group Cc, at 200 K. The plate-shaped crystals formulated as Ca5(ABTS)6(H2O)29 belong also to the monoclinic symmetry with P21 space group and cell parameters a=11.222(2), b=37.991(8), c=19.327(4) A, β=106.37(3)° at 200 K. The structure analysis of the first phase shows a one-dimensional character based on the stacking of organic molecules creating channels in which Ca2+ cations and water molecules are located. The second phase can be described as an alternation of organic and inorganic layers corresponding to a bidimensional hybrid network. The magnetic and electrical properties will be discussed.
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