Synthesis and Thermal Behavior of Heteroleptic ??Substituted Acetylacetonate?Alkoxides of Titanium

A series of heteroleptic titanium derivatives general formula [Ti(OiPr)2(R-acac)2] with acetylacetonate ligands modified in the internal (?- or 3-) position by different substituents (R=OAc, NO2, Me, Et, Cl, Br) has been synthesized and completely characterized liquid multinuclear NMR FTIR. The influence nature group on thermal stability complexes was studied thermogravimetric analysis (TGA) gave following decreasing ranking: H<NO2<Cl<Me<Br<Et<OAc. DFT calculations showed that this ranking followed same order as keto-enolate form compared to ?-diketonate form. Other also confirmed for these molecules degraded sequentially singular high reactivity Et-acac based complex could be due rupture C?C bond lead a CH2°-acac radical, which triggers decomposition.