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Étude de la réactivité du dimère hétéronucléaire PdTi avec le monoxyde de carbone et du titane atomique avec CO et H2O en matrice d’argon et par spectroscopie vibrationnelle FTIR

Abstract : The purpose of this thesis is the study of transition metal atoms reactivity with the CO and H2O ligands using argon matrix isolation at 12 K and the Fourier Transform Infrared Spectroscopy. We have studied the reaction between the heteronuclear PdTi dimer with CO and we have identified the PdTi-CO, TiPd-CO, PdTi(CO)2, and PdTi(CO)3 molecules. Irradiation in the visible leads to the conversion from PdTi-CO with a Ti-CO bond to TiPd-CO with a Pd-CO bond. In the second part of this thesis, we have studied the reaction between the atomic titanium and the CO and H2O ligands. This is a spontaneous reaction and we have characterized the HTiOH-CO and HTiOH-(CO)2 molecules essentially with the help of the isotopic CO and H2O molecules. Calculations have been made with the density functional theory (DFT). The comparison between theoretical and experimental data allowed us to determine the geometric and electronic parameters of the studied species.
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  • HAL Id : tel-03349186, version 1
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Mohamad Ibrahim. Étude de la réactivité du dimère hétéronucléaire PdTi avec le monoxyde de carbone et du titane atomique avec CO et H2O en matrice d’argon et par spectroscopie vibrationnelle FTIR. Chimie théorique et/ou physique. Sorbonne Université, 2019. Français. ⟨NNT : 2019SORUS643⟩. ⟨tel-03349186⟩

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