Density functional study of the magneto-structural correlations of manganese complexes, [Mn2O2H (salpn)2]+(2−) (n= 0–2) from the viewpoint of the protonation modes of the bridging oxygen anions-Reference-Cited by-同舟云学术

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Density functional study of the magneto-structural correlations of manganese complexes, [Mn2O2H (salpn)2]+(2−) (n= 0–2) from the viewpoint of the protonation modes of the bridging oxygen anions

Published:2017-11 Issue: Volume:136 Page:102-109
ISSN:0277-5387
Container-title:Polyhedron
language:en
Short-container-title:Polyhedron

Author:

Miyagawa K.,Komi K.,Ohnari J.,Maruyama S.,Yamanaka S.,Saito T.,Kawakami T.,Yamaguchi K.,Okumura M.

Funder

Japan Science and Technology Agency

JST

CREST

Publisher

Elsevier BV

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry

Reference23 articles.

1. Structure and Mechanism in Protein Science;Fersht,1999

2. Computational Inorganic and Bioinorganic Chemistry,2009

3. Theoretical Evaluation of Structural Models of the S2State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions

4. Electronic Structural Changes of Mn in the Oxygen-Evolving Complex of Photosystem II during the Catalytic Cycle

5. Possible mechanisms for the O–O bond formation in oxygen evolution reaction at the CaMn4O5(H2O)4 cluster of PSII refined to 1.9Å X-ray resolution

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1. Using theoretical calculations to predict the redox potential of mononuclear manganese complexes;New Journal of Chemistry;2018

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