Structure, bonding, and reactivity of Ti and Zr amidate complexes: DFT and X-ray crystallographic studies

Easily prepared and highly modular organic amide proligands are used to synthesize a series of new bis(amidate)-bis(amido) Ti and Zr complexes through protonolysis. These complexes are structurally characterized with the use of NMR spectroscopy and X-ray crystallographic, while the bonding in the bis(amidate)-bis(amido) complexes is investigated using DFT calculations.