The IR Spectra Analysis and Crystal Structure of V3 (μ3-O) (μ2-O2 CEt)6 (O)2 (THF)· 2CHCl3

摘要

cqvip:The title compound （C 24H 40Cl6O 16V3, Mr = 950.08） was synthesized from the reaction of VCl3 and NaO2CEt in CHCl3 and THF. The crystal structure has been 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） , β = 99.879（1）°, V = 3971.3（2）3, Dc = 1.589 g/cm3, μ= 1.157 mm -1, F（000）=1932, Z=4, R = 0.055, wR = 0.1539 （I2σ（I））. This compound has an unusual coplanar V3O core with a C2 axis passing through O（1）, V（1）, O（10）: one V-μ3O is short （1.628 ）, the other two are longer （2.381 ）. It was characterized by IR, 1H NMR, and EPR spectra. It was unstable and the decomposition process of this compound was studied using IR spectroscopy.