Donor-driven conformational flexibility in a real-life catalytic dicopper(ii) peroxo complex-Reference-Cited by-同舟云学术

Donor-driven conformational flexibility in a real-life catalytic dicopper(ii) peroxo complex

Published:2016 Issue:9 Volume:18 Page:6430-6440
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hoffmann A.¹²³⁴⁵,Herres-Pawlis S.¹²³⁴⁵

Affiliation:

1. Lehrstuhl für Bioanorganische Chemie

2. Institut für Anorganische Chemie

3. RWTH Aachen University

4. 52074 Aachen

5. Germany

Abstract

The conformers of the real-life tyrosinase model [Cu₂O₂{HC(3-tBuPz)₂(Py)}₂]²⁺which displays catalytic hydroxylation reactivity were investigated by density functional theory (DFT) studies including second-order perturbation theory and charge decomposition analysis (CDA).

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP05009J

Reference75 articles.

1. Copper Active Sites in Biology

2. Crystallographic Evidence That the Dinuclear Copper Center of Tyrosinase Is Flexible during Catalysis

3. Multicopper Oxidases and Oxygenases