ferrocenium bis(maleonitriledithiolato)nickel(III) | 149213-53-6

• 英文名称: ferrocenium bis(maleonitriledithiolato)nickel(III)
• 英文别名: ferrocenium bis(maleonitriledithiolato)nickelate；[Cp2Fe][Ni(maleonitriledithiolate)2]；[Fe(C₅H₅)₂][Ni(maleonitriledithiolate)₂]
• CAS: 149213-53-6
• 化学式: C₈N₄NiS₄*C₁₀H₁₀Fe
• 分子量: 525.105
• InChiKey: GZWFWAXABUHPDN-PXSFCGFJSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  2,2',3,3',4,4',5,5'-octamethyl-1,1'-bis(methylthio)ferrocene 、 ferrocenium bis(maleonitriledithiolato)nickel(III) 以 乙腈 为溶剂， 以51%的产率得到(Z)-1,2-dicyanoethene-1,2-dithiolate;iron(3+);nickel(3+);1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
  参考文献：
  名称：

  Charge-Transfer Salts of Octamethylferrocenyl Thioethers and [M(mnt)₂]^- Complexes (M = Ni, Co, Pt). Synthesis, Structure, and Physical Properties

  摘要：

  The new ferrocene derivatives Fe(eta(5)-C5Me4SR)(2) (R = Me, 4: R = t-Bu, 5) have been prepared from the corresponding cyclepentadiene and FeCl2. 5 may be converted to the bis(thiobenzoate) 6, a protected form of dithiol 8. From 6 the octamethyl trithiaferrocenophane 9 may be obtained in good yields. Compounds 4 and 5 are easily oxidized and form paramagnetic salts containing [M(mnt)2](-) anions (M = Co, Ni, Pt). The derivatives [Fe(eta(5)-C5Me4SMe)(2)] [Ni(mnt)(2)], 14, [Fe(eta(5)-C5Me4SMe)(2)] [Pt(mnt)(2)], 15, [Fe(eta(5)-C5Me4SMe)(2)] [Co(mnt)(2)], 16, [Fe-(eta(5)-C(5)Me(4)St-Bu)(2)] [Ni(mnt)(2)], 17, [Fe(eta(5)-C(5)Me(4)St-Bu)(2)] [Pt(mnt)(2)], 18, and [Fe(eta(5)-C(5)Me(4)St-Bu)(2)] [Co(mnt)(2)], 19, have been prepared and fully characterized. X-ray crystal structural studies of 14 and 16-19 have been carried out. 14 and 16 display stacks of strongly interacting [M(mnt)(2)](-) anions, whereas 19 contains discrete [Co(mnt)(2)] dimers. 17 and 18 are isomorphous and display a typical D(+)A(-)D(+)A(-) structural motif. SQUID susceptibility measurements indicate a weak ferromagnetic ordering at low temperature for these two compounds.

  DOI：

  10.1021/ic9802045
• 作为产物：
  描述：

  ferrocenium(III) tetrafluoroborate 、 [tetrabutylammonium]2 bis(cis-1,2-dicyanoethene-1,2-dithiolato)nickelate(II) 以 1,2-二氯乙烷 为溶剂， 以33%的产率得到ferrocenium bis(maleonitriledithiolato)nickel(III)
  参考文献：
  名称：

  Paramagnetic and Semiconducting 1:1 Salts of 1,1‘-Disubstituted Ferrocenes and [Ni(mnt)₂]^-. Synthesis, Structure, and Physical Properties

  摘要：

  The ferrocene-based electron donors 1,1'-bis[2-(4-(methylthio)phenyl)-(E)-ethenyl]ferrocene (2), 1,1'-bis[2-(4-methoxyphenyl)-(E)-ethenyl]ferrocene (3), 1,1'-bis[(1,3-dithiolo[4,5-b][1,3]dithiol-2-ylidene)methyl]ferrocene (4), and 1,1'-bis[(1,3-benzodithiol-2-ylidene)methyl]ferrocene (5) were found to react with ferrocenium bis(maleonitriledithiolato)nickelate (1-) ([FeCp(2)](+)[Ni(mnt)(2)](-), 6) to afford the corresponding 1:1 paramagnetic salts 7-10, containing 1,1'-disubstituted ferrocenium derivatives. SQUID magnetic susceptibility measurements of these new compounds showed a behavior dominated by antiferromagnetic interactions within pairs of [Ni(mnt)(2)](-) ions. Pressed pellets of compounds 7 ([2][Ni(mnt)(2)]) and 9 ([4][Ni(mnt)(2)]) are semiconducting, with a relatively large conductivity activation energy (0.85 and 1.13 eV). Crystals of 7 reveal the monodimensional nature of the compound. Each separate stack of [Ni(mnt)(2)](-) ions is flanked by two ferrocenium stacks. Ni-Ni distances alternate between 3.67 and 3.99 Angstrom.

  DOI：

  10.1021/om9603981

文献信息

• Charge-Transfer Salts of Biferrocene Derivatives with F₂- and F₄-Tetracyanoquinodimethane: Correlation Between Donor–Acceptor Ratios and Cation Valence States
  作者：Tomoyuki Mochida、Yusuke Funasako、Eri Nagabuchi、Hatsumi Mori

  DOI：10.1021/cg500006e

  日期：2014.3.5

  ([D1]2[F4TCNQ]3), and 1:1 ([D2][F4TCNQ], [D4][F2TCNQ], [D4][F4TCNQ], [D5][F4TCNQ]). [Ni(mnt)2] produced a 1:1 salt [D3][Ni(mnt)2]. Although the biferrocenium salts reported to date contain only monocations, the cation valence in these salts decreases as the donor/acceptor ratio increases; the 1:3 and 1:2 salts contain biferrocenium dications, the 1:1 salts contain mixed-valence biferrocenium monocations, and

  带有支链烷基取代基[1'-R 1 -1 ‴ -R 2 -1,1 '' -二茂铁的二茂铁衍生物的电荷转移盐；制备R 1＝ R 2＝异丙硫基（D1），异丙基（D2），异丁基（D3），新戊基（D4），和R 1＝异丁基和R 2＝新戊基（D5）]，并进行晶体学表征。F 2和F 4-四氰基喹二甲烷（TCNQ）生产的D / A比为1：3的盐（[ D1 ] [F 2 TCNQ] 3，[ D2 ] [F2 TCNQ] 3），1：2（[ D2 ] [F 4 TCNQ] 2，[ D3 ] [F 4 TCNQ] 2），2：3（[ D1 ] 2 [F 4 TCNQ] 3）和1： 1（[ D2 ] [F 4 TCNQ]，[ D4 ] [F 2 TCNQ]，[ D4 ] [F 4 TCNQ]，[ D5 ] [F 4 TCNQ]）。[Ni（mnt）2 ]产生1：1的盐[ D3 ] [Ni（mnt）2]。尽管迄今报道的双二