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Autor:
Diéguez, Horacio A.1, López, Armando1, Domingo, Victoriano1, Arteaga, Jesús F.2, Dobado, José A.1, Herrador, M. Mar1, QuíIez del Moral, José F.1, Barrero, Alejandro F.1 afbarre@ugr.es
Publikováno v:
Journal of the American Chemical Society. 1/13/2010, Vol. 132 Issue 1, p254-259. 6p.
Autor:
Armando Lopez, José A. Dobado, José F. Quílez del Moral, M. Mar Herrador, Alejandro F. Barrero, Victoriano Domingo, Horacio R. Dieguez, Jesús F. Arteaga
Publikováno v:
Journal of the American Chemical Society. 132(1)
Investigations detailed herein, including density functional theory (DFT) calculations, demonstrate that the formation of either alkoxy- or hydroxy-Ti(III) complexes considerably decreases the energy of activation for C-O bond homolysis. As a consequ