Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology

Copper(II) β-diketonates are popular MOCVD precursors for production of copper and copper-containing coatings. For further development and targeted design of new precursors of this type it would be very useful to have a tool for fast indirect estimation of the energy of Cu–O bonds. In this work, we have searched for correlations between the energy of Cu–O bonds in Cu(II) β-diketonates and their topological characteristics. Several equations have been proposed.