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High valent transition metal corrole and corrolazine complexes. The question of noninnocent ligands
(Master thesis; Mastergradsoppgave, 2003-06-06)To contribute to the fundamental picture of the electronic structure of high valent first row transition metal complexes, I have carried out a density functional study of two different macrocyclic ligand systems, corroles and corrolazines, with two different axial ligands, Ph and Cl and a number of different central ions, P(V), Cu(III), Mn(IV) and Fe(IV). DFT calculations on Fe(IV) and Mn(IV) corrole ...