Reaction of TiCl4 with diethyl ether. Experimental and quantum-chemical study

Abstract

The reaction of titanium tetrachloride with diethyl ether at various ratios of components and temperatures was studied by the NMR and mass spectrometry methods. The TiCl₄·2Et₂O complex does not pass in the gas phase. Formation of ethoxytrichlorotitanium among reaction products was established by the X-ray structure analysis. The model of conversion from initial components to titanium dioxide was suggested on the basis of the obtained experimental data and quantum-chemical calculations (B3LYP/def2-SVP level of theory).