The Generation of the Oxidant Agent of a Mononuclear Nonheme Fe(II) Biomimetic Complex by Oxidative Decarboxylation. A DFT Investigation

The Generation of the Oxidant Agent of a Mononuclear Nonheme Fe(II) Biomimetic Complex by Oxidative Decarboxylation. A DFT Investigation

The oxidative decarboxylation of the iron(II) α-hydroxy acid (mandelic acid) complex model, biomimetic of Rieske dioxygenase, has been investigated at the density functional level. The explored mechanism sheds light on the role of the α-hydroxyl group on the dioxygen activation. Th...

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Bibliographic Details
Main Authors: Angela Parise, Maria Costanza Muraca, Nino Russo, Marirosa Toscano, Tiziana Marino
Format: Article
Language:English
Published: MDPI AG 2020-01-01
Series:Molecules
Subjects:
nonheme biomimetic
potential energy surface
density functional theory
oxidative decarboxylation
Online Access:https://www.mdpi.com/1420-3049/25/2/328

Internet

https://www.mdpi.com/1420-3049/25/2/328

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