Abstract
The dimeric complex bis[dichlorobis(4-methyloxazole)copper(II)], [Cu(4-Meox) 2Cl 2] 2 or [CuC 4H 5NO) 2Cl 2] 2 has been synthesized and its structure has been determined from three-dimensional counter X-ray data. The complex crystallizes in the monoclinic space group P2 1/n with two dimeric formula units in a cell of dimensions a= 8.177(2), b = 12.866(5), c = 11.063(6) Å,β = 98.31(3)°. The structure has been refined by least-squares techniques to a value of the conventional R-factor (on F) of 0.033 based on 2071 independent data. The geometry at each copper center is severely distorted tetragonal pyramidal, the basal ligands being two trans nitrogen atoms from the 4-Meox ligands and two trans chloride ligands while the apical site is occupied by an inversion-related chloride ion. Thus, the dimeric entity is of the axial-equatorial type in which the inversion-related bridging chloride ligands are each axial to one copper and equatorial to the other. The CuCu separation in the dimer is 3.507(1) Å and the bridging CuClCu′ angle (φ) is 89.46(2)°. The magnetic susceptibility of the complex exhibits a maximum near 2 K, and the data have been fitted to the magnetization expression yielding g = 2.118 and a singlet-triplet separation of 2.6 cm −1 with the singlet as the ground state.
Published Version
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