| 255705-40-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 255705-40-9
• 化学式: C₁₂H₂₄NiS₆
• 分子量: 419.409
• InChiKey: KKKTUGFSQIOKAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1,4,7-三硫环壬烷 在 N(CH₃(CH₂)3)4PF₆ 作用下， 以 甲醇 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Nickel thioether chemistry: a re-examination of the electrochemistry of [Ni([9]aneS₃)₂]²⁺. The single-crystal X-ray structure of a nickel(III) thioether complex, [Ni^III([9]aneS₃)₂][H₅O₂]₃[ClO₄]₆([9]aneS₃= 1,4,7-trithiacyclononane)

  摘要：

  Cyclic voltammetry of [Ni([9]aneS3)2][PF6]2 ([9]aneS3 = 1,4,7-trithiacyclononane) in MeCN (0.1 mol dm-3 NBu4PF6) at 293 K at platinum electrodes shows the previously reported chemically reversible oxidation at E1/2 = +0.98 V, DELTAE(p) = 82 mV and a quasi-reversible reduction at E1/2 = -1.11 V vs. ferrocene-ferrocenium, DELTAE(p) = 90 mV. These redox processes have been investigated spectroelectrochemically using ESR and electronic spectroscopy which indicate [Ni([9]aneS3)2]3+ to be a genuine d7 nickel(III) complex. The [Ni([9]aneS3)2]3+ cation can be generated quantitatively and stabilised for extended periods by dissolution of [Ni([9]aneS3)2]2+ in HClO4 solution. The complex [Ni(III)-([9]aneS3).][H5O2]3[ClO4]6 crystallises in the rhombohedral space group R3cBAR. The single-crystal X-ray structure confirms octahedral homoleptic thioether co-ordination with Ni-S bond lengths of 2.3129(25) angstrom. These Ni-S distances are significantly shorter than in the nickel(II) analogue [Ni([9]aneS3)2]2+ and confirm the formulation of a mononuclear nickel(III)-thioether complex cation. Cyclic voltammetry of [Zn([9]aneS3)2] [PF6]2 reveals one irreversible oxidation and one irreversible reduction at E(pa) = +1.30 and E(pc) = -1.77 V respectively at a scan rate of 400 mV s-1. Significantly, the redox potential for the oxidation of the zinc(II) species is more anodic than for the nickel(II) analogue.

  DOI：

  10.1039/dt9920003427

文献信息

• Chandrasekhar; McAuley, Inorganic Chemistry, 1992, vol. 31, # 3, p. 480 - 487
  作者：Chandrasekhar、McAuley

  DOI：——

  日期：——