Synthesis, structural and DFT interpretation of titanium bis-isopropoxide derivatives incorporating bidentate ketiminate ligands

A series of titanium compounds containing bidentate ketiminate ligands are synthesized and structurally characterized. Reaction between one or two equivalents of L-DIP-H with Ti((OPr)-Pr-i)(4) in diethyl ether results the formation of titanium bis-isopropoxide compound, Ti(L-DIP)(2)((OPr)-Pr-i)(2) (1). Similarly, the combination of Ti((OPr)-Pr-i)(4) and bidentate ketiminate precursor, L-MOP-H and L-MOMP-H affords the respective compounds, Ti(L-MOP)(2)((OPr)-Pr-i)(2) (2) and Ti(L-MOMP)(2)((OPr)-Pr-i)(2) (3), respectively, in moderate yield. Additionally, we discuss the synthetic routes for the formation of 1 using different substrates, TiPh((OPr)-Pr-i)(3) or TiCl((OPr)-Pr-i)(3) with L-DIP-H or lithiated ligand LiLDIP via ligand re-distribution. We, later on, describe the concurrence of electronic disposition and steric restraint with TiO bond length and Ti-O-C bond angles.

Automated summary

In this study, a series of titanium compounds containing bidentate ketiminate ligands were synthesized and characterized. The formation of these compounds, as well as the relationship between electronic disposition and steric restraint with bond lengths and bond angles, were discussed in detail.