Disorder of the dimeric TCNQ–TCNQ unit in the crystal structure of Ni(bpy)32(TCNQ–TCNQ)(TCNQ)2·6H2O (TCNQ is 7788-tetracyanoquinodimethane)

机译：Ni（bpy）3 2（TCNQ-TCNQ）（TCNQ）2·6H2O（TCNQ为7788-四氰基喹二甲烷）的晶体结构中的二聚TCNQ–TCNQ单元无序

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Crystallization from an aqueous methanol system composed of Ni(NO3)2, 2,2′-bipyridine (bpy) and LiTCNQ (TCNQ is 7,7,8,8-tetracyanoquinodimethane) in a 1:3:2 molar ratio yielded single crystals of bis[tris(2,2′-bipyridine-κ² N,N′)nickel(II)] bis(7,7,8,8-tetracyanoquinodimethane radical anion) bi[7,7,8,8-tetracyanoquinodimethanide] hexahydrate, [Ni(C10H8N2)3]2(C24H8N8)(C12H4N4)2·6H2O or [Ni(bpy)3]₂(TCNQ–TCNQ)(TCNQ)₂·6H₂O. The crystal structure comprises [Ni(bpy)₃]²⁺ complex cations, two centrosymmetric crystallographically independent TCNQ^>·− anion radicals with π-stacked exo groups, and an additional dimeric TCNQ–TCNQ unit which comprises 75.3 (9)% of a σ-dimerized (TCNQ–TCNQ)²⁻ dianion and 24.7 (9)% of two TCNQ^·− anion radicals with tightly π-stacked exo groups. The title complex represents the first example of an Ni^II complex containing a σ-dimerized (TCNQ–TCNQ)²⁻ dianion. Disordered solvent water molecules present in the crystal structure participate in hydrogen-bonding interactions.

机译：从摩尔浓度为1：3：2的Ni（NO3）2、2,2'-联吡啶（bpy）和LiTCNQ（TCNQ为7,7,8,8-四氰基喹二甲烷）组成的甲醇水溶液中结晶产生单晶双[tris（2,2'-联吡啶-κ^{2 N，N'）镍（II）]双（7,7,8,8-四氰基喹二甲烷自由基阴离子）bi [7,7 ，8,8-四氰基喹二甲酰胺]六水合物，[Ni（C10H8N2）3] 2（C24H8N8）（C12H4N4）2·6H2O或[Ni（bpy）3] _{2 （TCNQ–TCNQ）（TCNQ） _{2 ·6H _{2 O。晶体结构包含[Ni（bpy）_{3 ] ^{2 + 复杂阳离子，两个中心对称晶体学独立的TCNQ ^{>·-具有π-堆叠exo基团的阴离子自由基，以及一个额外的二聚TCNQ-TCNQ单元，其中包含75.3（9）％的σ-二聚（TCNQ-TCNQ）^{2-二价阴离子和24.7（9）具有紧密π堆积的exo基团的两个TCNQ ^{·-阴离子自由基的百分比。标题配合物表示包含σ二聚（TCNQ–TCNQ）^{2-二价阴离子的Ni ^{II 配合物的第一个示例。晶体结构中存在的无序溶剂水分子参与氢键相互作用。}}}}}}}}}}}

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期刊名称 Acta Crystallographica Section E: Crystallographic Communications
作者
Juraj Černák; Juraj Kuchár; Michal Hegedüs;
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作者单位

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年(卷),期 2017(73),Pt 1
年度 2017
页码 8–12
总页数 17
原文格式 PDF
正文语种
中图分类生化遗传学;生化药理学;
关键词
crystal structure nickel 22′-bipyridine σ-dimerized TCNQ–TCNQ dianion disorder;

机译：晶体结构;镍;22-联吡啶;σ-二聚TCNQ–TCNQ二价阴离子;无序;

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专利

1. Disorder of the dimeric TCNQ–TCNQ unit in the crystal structure of [Ni(bpy)3]2(TCNQ–TCNQ)(TCNQ)2·6H2O (TCNQ is 7,7,8,8-tetra-cyano-quinodi-methane) [J] . ?ernák J., Kuchár J., Hegedüs M. Acta Crystallographica Section E: Crystallographic Communications . 2017,第1期

机译：[Ni（bpy）3] 2（TCNQ-TCNQ）（TCNQ）2·6H2O（TCNQ为7,7,8,8-四-氰基-喹二甲烷）晶体结构中的二聚TCNQ-TCNQ单元的无序）
2. Disorder of the dimeric TCNQ–TCNQ unit in the crystal structure of [Ni(bpy)3]2(TCNQ–TCNQ)(TCNQ)2·6H2O (TCNQ is 7,7,8,8-tetra-cyano-quinodi-methane) [J] . ?ernák J., Kuchár J., Hegedüs M. Acta Crystallographica Section E: Crystallographic Communications . 2017,第1期

机译：[Ni（bpy）3] 2（TCNQ-TCNQ）（TCNQ）2·6H2O（TCNQ为7,7,8,8-四-氰基-喹二甲烷）晶体结构中的二聚TCNQ-TCNQ单元的无序）
3. Reactivity of tungsten(V) mononuclear complexes towards Li(TCNQ) and TCNQ. Comparison of the crystal structures of [W(S2CNMe2)(4)][TCNQ] and [Mo(S2CNMe2)(4)][TCNQ]center dot MeCN (TCNQ = 7,7,8,8-tetracyanoquinodimethane) [J] . Le Stang S., Pala JS., Le Mest Y., Journal of the Chemical Society, Dalton Transactions. Inorganic Chemistry . 1998,第3期

机译：钨（V）单核配合物对Li（TCNQ）和TCNQ的反应活性。 [W（S2CNMe2）（4）] [TCNQ]和[Mo（S2CNMe2（4）] [TCNQ]中心点MeCN的晶体结构比较（TCNQ = 7,7,8,8-四氰基喹二甲烷）
4. Photo emission spectroscopy for Ag-TCNQ (TCNQ = tetracyanoquinodimethane) nanowires [C] . Ye Chunuan, Chen Guorong 8th International Vacuum Electron Sources Conference and Nanocarbon . 2010

机译：Ag-TCNQ（TCNQ =四氰基喹二甲烷）纳米线的光发射光谱
5. HIGH PRESSURE ELECTRICAL TRANSPORT STUDIES ON SEVERAL ORGANIC CHARGE TRANSFER SALTS (HMTSF-TCNQ, PEIERLS TRANSITION, HMTTF-TCNQ, TMTSF-TCNQ). [D] . TOZER, STANLEY W. 1986

机译：几种有机电荷转移盐（HMTSF-TCNQ，Peierls过渡，HMTTF-TCNQ，TMTSF-TCNQ）的高压电传输研究。
6. Single photon triggered dianion formation in TCNQ and F4TCNQ crystals [O] . Lin Ma, Peng Hu, Hui Jiang, -1

机译：TCNQ和F4TCNQ晶体中的单光子触发双阴离子形成
7. Disorder of the dimeric TCNQ–TCNQ unit in the crystal structure of [Ni(bpy)3]2(TCNQ–TCNQ)(TCNQ)2·6H2O (TCNQ is 7,7,8,8-tetracyanoquinodimethane) [O] . Juraj Černák, Juraj Kuchár, Michal Hegedüs 2017

机译：[Ni（bpy）3] 2（TCNQ-TCNQ）（TCNQ）2·6H2O晶体结构中二聚体TCNQ-TCNQ单元的失调（TCNQ为7,7,8,8-四氰基醌二甲烷）
8. Crystal Structure and Excited Triplet State Electron Paramagnetic Resonance of the Sigma Bonded TCNQ Dimer in Bis-2,9-Dimethyl-1,10-Phenanthrolinecopper(I) Tetracyanoquinodimethane (Cu(DMP)2)2(TCNQ)2. [R] . Hoffman, S. K., Corvan, P. J., Singh, P., 1983

机译：sigma-Bonded TCNQ二聚体在双-2,9-二甲基-1,10-菲咯啉铜（I）四氰基喹啉并二甲烷（Cu（Dmp）2）2（TCNQ）2中的晶体结构和激发三重态电子顺磁共振。

Disorder of the dimeric TCNQ–TCNQ unit in the crystal structure of Ni(bpy)32(TCNQ–TCNQ)(TCNQ)2·6H2O (TCNQ is 7788-tetra­cyano­quinodi­methane)

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Disorder of the dimeric TCNQ–TCNQ unit in the crystal structure of Ni(bpy)32(TCNQ–TCNQ)(TCNQ)2·6H2O (TCNQ is 7788-tetracyanoquinodimethane)