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K. Yamaguchi, S. Yamanaka, H. Isobe, T. Saito, K. Kanda, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya, M. Okumura, H. Nakamura, M. Shoji and Y. Yoshioka The nature of chemical bonds of the CaMn4O5 cluster in oxygen evolving complex of photosystem II: Jahn-Teller distortion and its suppression by Ca doping in cubane structures International Journal of Quantum Chemistry 113

Article first published online: 17 JUL 2012 | DOI: 10.1002/qua.24280

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While the roles of manganese ions in the CaMn4O5 cluster of oxygen evolving complex of photosystem II have been investigated in relation to the molecular mechanism of water splitting reaction, not much attention has been given so far to the Ca ion. By replacing Mn ions with Ca (or Sr) ion in the cubane structure it is found that Ca-doping suppresses Jahn-Teller effects for Mn ions.

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