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

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