Elucidation of a multiple S3 intermediates model for water oxidation in the oxygen evolving complex of photosystem II. Calcium-assisted concerted O[sbnd]O bond formation

Kizashi Yamaguchi, Koichi Miyagawa, Mitsuo Shoji, Hiroshi Isobe, Takashi Kawakami

研究成果査読

6 被引用数 (Scopus)

抄録

A multiple S3 intermediates model for water oxidation in the oxygen evolving complex (OEC) of photosystem II (PSII) is examined on the basis of key intermediates elucidated by UB3LYP/def2-TZVP and DLPNO-CCSD(T0) computations. The kinetic experimental results by this model are consistent with the main contribution of the Mn-Hydroxide configuration and partial contribution of Mn-Oxyl in the S3 state, for which the oxyl-radical character is largely reduced by the coordination of the Ca ion in OEC of PSII.

本文言語English
論文番号140042
ジャーナルChemical Physics Letters
806
DOI
出版ステータスPublished - 11月 2022

ASJC Scopus subject areas

  • 物理学および天文学一般
  • 物理化学および理論化学

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