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[Ni(bztmpen)(CHCN)](BF)的晶体结构和电化学性质{bztmpen为 -苄基-,','-三-[(6-甲基-吡啶-2-基)甲-基]乙烷-1,2-二-胺} 。

Crystal structure and electrochemical properties of [Ni(bztmpen)(CHCN)](BF) {bztmpen is -benzyl-,','-tris-[(6-methyl-pyridin-2-yl)meth-yl]ethane-1,2-di-amine}.

作者信息

Chen Lin, Ren Gan, Guo Yakun, Sang Ge

机构信息

Science and Technology on Surface Physics and Chemistry Laboratory, Jiangyou 621908, People's Republic of China.

Institute of Materials, China Academy of Engineering Physics, Jiangyou 621908, People's Republic of China.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 May 9;73(Pt 6):825-828. doi: 10.1107/S2056989017006764. eCollection 2017 Jun 1.

DOI:10.1107/S2056989017006764
PMID:28638636
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5458301/
Abstract

The mononuclear nickel title complex (acetonitrile-κ){-benzyl-,','-tris-[(6-methyl-pyridin-2-yl)meth-yl]ethane-1,2-di-amine}-nickel(II) bis-(tetra-fluor-ido-borate), Ni(CHN)(CHCN), was prepared from the reaction of Ni(BF)·6HO with -benzyl-,','-tris-[(6-methyl-pyridin-2-yl)meth-yl]ethane-1,2-di-amine () in aceto-nitrile at room temperature. With an open site occupied by the aceto-nitrile mol-ecule, the nickel(II) atom is chelated by five N-atom sites from the ligand and one N atom from the ligand, showing an overall octa-hedral coordination environment. Compared with analogues where the 6-methyl substituent is absent, the bond length around the Ni cation are evidently longer. Upon reductive dissociation of the acetro-nitrile mol-ecule, the title complex has an open site for a catalytic reaction. The title complex has two redox couples at -1.50 and -1.80 V () based on nickel. The F atoms of the two BF counter-anions are split into two groups and the occupancy ratios refined to 0.611 (18):0.389 (18) and 0.71 (2):0.29 (2).

摘要

单核镍标题配合物(乙腈-κ){-苄基-,','-三-[(6-甲基吡啶-2-基)甲基]乙烷-1,2-二胺}-镍(II)双(四氟硼酸根),Ni(CHN)(CHCN),是由Ni(BF)·6HO与-苄基-,','-三-[(6-甲基吡啶-2-基)甲基]乙烷-1,2-二胺()在室温下于乙腈中反应制备而成。由于乙腈分子占据了一个空位,镍(II)原子被来自配体的五个氮原子位点和来自配体的一个氮原子螯合,呈现出整体八面体配位环境。与不存在6-甲基取代基的类似物相比,镍阳离子周围的键长明显更长。在乙腈分子发生还原解离后,标题配合物有一个用于催化反应的空位。基于镍,标题配合物在-1.50和-1.80 V()处有两个氧化还原对。两个BF抗衡阴离子的氟原子分为两组,占有率精修为0.611 (18):0.389 (18)和0.71 (2):0.29 (2)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/d66798d0d1b3/e-73-00825-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/6335f8fd302f/e-73-00825-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/03df46144681/e-73-00825-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/dc23034067ca/e-73-00825-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/d66798d0d1b3/e-73-00825-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/6335f8fd302f/e-73-00825-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/03df46144681/e-73-00825-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/dc23034067ca/e-73-00825-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e1e/5458301/d66798d0d1b3/e-73-00825-fig4.jpg

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