Understanding the color change of the solutions of Cp2TiCl upon addition of water

Abstract

Reduction of red bis (cyclopentadienyl)titanium (IV) dichloride (Cp2TiCl2)with manganese dust in dry THF produces a green solution that turns deepblue upon the addition of traces of water. Mass spectrometric analysis andDFT calculations have been performed to achieve a better understanding ofthe species that may be present after the interaction of water with reducedCp2TiCl2. The deep blue solution provides a handy visual indicator for thequalitative determination of water in THF