The IR spectra analysis and crystal structure of V-3(mu(3)-O)(mu(2)-O2CEt)(6)(O)(2)(THF)center dot 2CNCl(3)

The title compound (C24H40Cl6O16V3, M-r = 950.08) was synthesized from the reaction of VCl3 and NaO2CEt in CHCl3 and THF. The crystal structure has be en determined by X-ray single-crystal diffraction analysis. It crystallizes in monoclinic space group C2/c with a = 12.5768(4), b = 16.5601(4), c = 19 .3574(7) Angstrom, beta = 99.879(1)degrees, V = 3971.3(2)Angstrom(3), D-c = 1.589 g/cm(3), mu = 1.157 mm(-1), F(000) = 1932, Z = 4, R = 0.055, omega R = 0.1539 (I greater than or equal to 2 sigma(I)). This compound has an un usual coplanar V3O core with a C-2 axis passing through O(1), V(1), O(10): one V-mu(3)O mu(3)O is short (1.628 Angstrom), the other two are longer (2. 381 Angstrom). It was characterized by IR, H-1 NMR, and EPR spectra. It was unstable and the decomposition process of this compound was studied using IR spectroscopy.