Innovative M(hfa)2.TMEDA (M=Cu, Co) Precursors for the CVD of Copper-Cobalt Oxides: an Integrated Theoretical and Experimental Approach

This work is focused on a joint experimental and theoretical characterization of M(hfa)2.TMEDA complexes [M=Cu, Co; hfa=1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA=N,N,N' ,N' -tetramethylethylenediamine], innovative CVD precursors for Cu-Co oxides. The structural, vibrational and thermal properties of the above compounds, as well as their fragmentation pathways, have been thoroughly analyzed by Fourier Transform Infrared Spectroscopy (FT-IR), Electrospray Ionization Mass Spectrometry (ESI-MS) and tandem Mass Spectrometry (MS/MS), ThermoGravimetric Analysis (TGA), Differential Scanning Calorimetry (DSC). Results obtained by the above techniques have been integrated by ab-initio Density Functional Theory (DFT) calculations. The most relevant results, with particular regard to CVD applications of the target compounds, are presented and discussed.