(η5-cyclopentadienyl)(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel | 913290-60-5

• 英文名称: (η5-cyclopentadienyl)(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel
• CAS: 913290-60-5
• 化学式: C₉H₉NiS₄
• 分子量: 304.124
• InChiKey: UOCGLPGTRDSJCP-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  {nickelocenium} tetrafluoroborate 、 bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel 以 甲苯 为溶剂， 以0%的产率得到(η5-cyclopentadienyl)(5,6-dihydro-1,4-dithiin-2,3-dithiolate)nickel
  参考文献：
  名称：

  [CpNi(dithiolene)] (and Diselenolene) Neutral Radical Complexes

  摘要：

  Various preparations of the neutral radical [CpNi(dddt)] complex ( dddt) 5,6-dihydro-1,4-dithiin-2,3-dithiolate) were investigated with CpNi sources, [Cp2Ni], [Cp2Ni](BF4), [CpNi(CO)](2), and [CpNi(cod)](BF4), and dithiolene transfer sources, OdC(dddt), the naked dithiolate (dddt(2-)), the monoanion of square-planar Ni dithiolene complex (NBu4)[Ni(dddt)(2)], and the neutral complex [ Ni( dddt)(2)]. The reaction of [CpNi(cod)](BF4) with (NBu4)[Ni(dddt)(2)] gave the highest yield for the preparation of [CpNi(dddt)](86%). [CpNi(ddds)](ddds)5,6-dihydro-1,4-dithiin-2,3-diselenolate), [CpNi(dsdt)](dsdt)5,6-dihydro-1,4-diselenin-2,3-dithiolate), [CpNi(bdt)](bdt)1,2-benzenedithiolate), and [CpNi(bds)] ( bds = 1,2-benzenediselenolate) were synthesized by the reactions of [Cp2Ni] with the corresponding neutral Ni dithiolene complexes [Ni(ddds)(2)](2), [Ni(dsdt)(2)], [Ni(bdt)(2)], and [Ni(bds)(2)], respectively. The five, formally Ni-III, radical complexes oxidize and reduce reversibly. They exhibit, in the neutral state, a strong absorption in the NIR region, from 1000 nm in the dddt/ddds/dsdt series to 720 nm in the bdt/bds series with epsilon values between 2500 and 5000 M-1 cm(-1). The molecular and solid state structures of the five complexes were determined by X-ray structure analyses. [CpNi(dddt)] and [CpNi(ddds)] are isostructural, while [CpNi(dsdt)] exhibits a closely related structure. Similarly, [ CpNi( bdt)] and [CpNi(bds)] are also isostructural. Correlations between structural data and magnetic measurements show the presence of alternated spin chains in [CpNi(dddt)], [CpNi(ddds)], and [CpNi(dsdt)], while a remarkably strong antiferromagnetic interaction in [CpNi(bdt)] and [CpNi(bds)] is attributed to a Cp center dot center dot center dot Cp face to face sigma overlap, an original feature in organometallic radical complexes.

  DOI：

  10.1021/ic0608546