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 deep blue upon the addition of traces of water. Mass spectrometric analysis and DFT calculations have been performed to achieve a better understanding of the species that may be present after the interaction of water with reduced Cp₂TiCl₂. The deep blue solution provides a handy visual indicator for the qualitative determination of water in THF.