Author/Authors :
Megret، Claire نويسنده , , Clot، Eric نويسنده , , Eisenstein، Odile نويسنده , , Perutz، Robin N. نويسنده , , Maseras، Feliu نويسنده , , Oelckers، Beatriz نويسنده , , substituents، نويسنده , , Besora، Maria نويسنده ,
Abstract :
DFT methods are used to quantify the relationship between M–C and H–C bond energies; for MLn = Re(5-C5H5)(CO)2H and fluorinated aryl ligands, theoretical and experimental investigations of ortho-fluorine substitution indicate a much larger increase in the M–C than in the H–C bond energy, so stabilising C–H activation products.