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联苯二亚氨基二硫醚铜配合物的实验电子结构——蓝铜蛋白的模型

Experimental electronic structures of copper complexes with a biphenyldiimino dithioether - a model for blue copper proteins.

作者信息

Fronc Marek, Breza Martin, Bučinský Lukáš, Jelemenská Ingrid, Kožíšek Jozef

机构信息

Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in Bratislava, Radlinského 9, Bratislava, SK-81237, 81237, Slovakia.

出版信息

IUCrJ. 2025 Mar 1;12(Pt 2):198-207. doi: 10.1107/S2052252524012107.

DOI:10.1107/S2052252524012107
PMID:39882675
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11878452/
Abstract

The experimental electron density distributions in two coordination compounds - one with a central Cu(I) atom and the other with Cu(II), coordinated by the same biphenyldiimino dithioether (bite) type of ligand - have been obtained from high-resolution X-ray reflection data to model the possible electron predisposition for the redox reaction in blue copper proteins. The bite ligand has been adapted to the conformation required by the central atom.

摘要

通过高分辨率X射线反射数据获得了两种配位化合物中的实验电子密度分布，一种含有中心Cu（I）原子，另一种含有Cu（II），它们均由相同的联苯二亚氨基二硫醚（bite）型配体配位，以模拟蓝铜蛋白中氧化还原反应可能的电子倾向。bite配体已适配于中心原子所需的构象。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/7ac2697ad9a7/m-12-00198-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/f109889c21e7/m-12-00198-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/37cd0a8636a3/m-12-00198-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/ab84df953c66/m-12-00198-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/55efa11a2e86/m-12-00198-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/44e3324183a7/m-12-00198-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/7ac2697ad9a7/m-12-00198-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/f109889c21e7/m-12-00198-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/37cd0a8636a3/m-12-00198-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/ab84df953c66/m-12-00198-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/55efa11a2e86/m-12-00198-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/44e3324183a7/m-12-00198-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3623/11878452/7ac2697ad9a7/m-12-00198-fig6.jpg

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