bis(5,6-dihydro-1,4-dithiin-2,3-diselenolato)nickelate | 190265-65-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: bis(5,6-dihydro-1,4-dithiin-2,3-diselenolato)nickelate
• 英文别名: bis(5,6-dihydro-1,4-dithiin-2,3-diselenolate)nickel
• CAS: 190265-65-7
• 化学式: C₈H₈NiS₄Se₄
• 分子量: 606.946
• InChiKey: WLLNMFJDGBSPOS-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  17.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  bis(5,6-dihydro-1,4-dithiin-2,3-diselenolato)nickelate 、 nickelocene 以 甲苯 为溶剂， 以68%的产率得到(η5-cyclopentadienyl)(5,6-dihydro-1,4-dithiin-2,3-diselenolate)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
• 作为产物：
  描述：

  tetra-n-butylammonium bis(5,6-dihydro-1,4-dithiin-2,3-diselenolato)nickelate 在 iodine 作用下， 以 not given 为溶剂， 生成 bis(5,6-dihydro-1,4-dithiin-2,3-diselenolato)nickelate
  参考文献：
  名称：

  Synthesis, Structure, and Physical Properties of Tetraalkylammonium Bis(5,6-dihydro-1,4-dithiin-2,3-diselenolato)nickelate, (R4N)[Ni(ddds)2] (R = Me, Et, andnBu), and Neutral Complex [Ni(ddds)2]2

  摘要：

  DOI：

  10.1002/(sici)1099-0682(199811)1998:11<1631::aid-ejic1631>3.0.co;2-z