Dioxygen Activation by Copper-Bleomycin: Theoretical Considerations

Autor:	Mihai Surducan, Radu Silaghi-Dumitrescu, Anita Papp
Jazyk:	angličtina
Rok vydání:	2014
Předmět:	Copper bleomycin Chemistry Reactive intermediate chemistry.chemical_element Density functional theory bleomycin DFT copper-peroxo copper-hydroperoxo dioxygen activation General Chemistry Reaction intermediate Photochemistry Copper
Zdroj:	Croatica Chemica Acta Volume 87 Issue 1
ISSN:	1334-417X 0011-1643
Popis:	Density functional theory (DFT) calculations are employed to calculate probable reaction intermediates in dioxygen activation by bleomycin-ligated copper - Cu(I)-dioxygen, Cu(I)-superoxo and Cu(II)-hydroperoxo. The electronic structures of these intermediates are discussed with emphasis on their electromerism. Importantly, unlike in dioxygen activation by iron-bleomycin, formation of these reactive intermediates requires that some of the copper-bleomycin bonds be broken. (doi: 10.5562/cca1793)
Databáze:	OpenAIRE
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