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  1. B100 理学部/理学研究科
  2. B100a 雑誌掲載論文
  3. 学術雑誌

Orientation of Ligand Field for Dangling Manganese in Photosynthetic Oxygen-Evolving Complex of Photosystem II

http://hdl.handle.net/2237/00031170
http://hdl.handle.net/2237/00031170
32e8a491-1770-4eb0-95cb-4e33c6898078
名前 / ファイル ライセンス アクション
manuscript_jpc_final.pdf manuscript_jpc_final (790.2 kB)
supportings.pdf supportings (960.9 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2020-01-15
タイトル
タイトル Orientation of Ligand Field for Dangling Manganese in Photosynthetic Oxygen-Evolving Complex of Photosystem II
言語 en
著者 Mino, Hiroyuki

× Mino, Hiroyuki

WEKO 95188

en Mino, Hiroyuki

Search repository
Nagashima, Hiroki

× Nagashima, Hiroki

WEKO 95189

en Nagashima, Hiroki

Search repository
アクセス権
アクセス権 open access
アクセス権URI http://purl.org/coar/access_right/c_abf2
権利
言語 en
権利情報 “This document is the Accepted Manuscript version of a Published Work that appeared in final form in [The Journal of Physical Chemistry B], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-WsUvDdGmc6dtd7eWd2Kd].”
抄録
内容記述 The spin structure in the S2 state and the crystal structure of the manganese cluster of the oxygen-evolving complex of plant photosystem II were combined by the quantitative evaluation of the magnetic anisotropy of the g = 4 signal. The g-values of 3.93 and 4.13 were obtained for the g = 4 signal in the directions parallel and perpendicular to the membrane normal, respectively. The peak-to-peak separations were 270 and 420 G for the parallel and perpendicular orientations to the membrane, respectively. By comparison with the crystal structure, the z-axis of the zero-field splitting was ascribed to the direction of the dangling Mn connecting water oxygen, Mn4–O(W1), in the manganese cluster. The results give the first experimental evidence that the valence of the dangling Mn is Mn(III) in the S2 high-spin state. We showed that the strong exchange coupling of Mn4 to Mn3 was required for g = 4.1 spin state in the four-spin couplings, estimated as > ∼|−30 cm^–1|, indicating that the present closed cubane model in quantum mechanics/molecular mechanics (QM/MM) calculation cannot explain the g = 4.1 spin structure. The onsite zero-field splitting of the dangling Mn was evaluated as −2.3 cm^–1 under the strong antiferromagnetic couplings (−50 cm^–1) with the dangling Mn to the cubane frame in the four coupled spin state. From the viewpoint of the arrangement of the Mn valences in the cluster, a closed cubane model is effective, but without a large structural deviation from the S1 state crystal structure.
言語 en
内容記述タイプ Abstract
内容記述
内容記述 ファイル公開:2021-01-09
言語 ja
内容記述タイプ Other
出版者
言語 en
出版者 ACS Publications
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
タイプ journal article
出版タイプ
出版タイプ AM
出版タイプResource http://purl.org/coar/version/c_ab4af688f83e57aa
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1021/acs.jpcb.9b10817
ISSN(print)
収録物識別子タイプ PISSN
収録物識別子 1520-6106
書誌情報 en : The Journal of Physical Chemistry B

巻 124, 号 1, p. 128-133, 発行日 2020-01-09
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