| 146995-21-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 146995-21-3
• 化学式: C₃₀H₄₈MnN₃S₆
• 分子量: 698.065
• InChiKey: CYKBAXWTZQEDMQ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  10.01
• 重原子数：
  40.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  36.09
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-丁基氨基环戊烯-1-二硫代甲酸 、 manganese(III) acetylacetonate 以 氯仿 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and characterisation of sulfur-rich manganese(III) and vanadium(IV) complexes containing dithioacid ligands

  摘要：

  The chemistry of the bidentate (S,S')- donor ligand 2-aminocyclopent-1-ene-1-carbodithioic acid (Hacda) and its N-alkylated derivatives [R = Et (Heacda), Pr(n) (Hpacda), or Bu(n) (Hbacda)] with vanadium(IV) and manganese(III) has been studied. The vanadium(IV) complexes [V(aacda)4] 1 a-1d are all eight-co-ordinated non-oxo species containing a VS8 chromophore. Their ESR spectra in frozen solution (140 K) exhibit axial anisotropy with a 16-line V-51 hyperfine pattern. The observed order in spin-Hamiltonian parameters (g(parallel-to) almost-equal-to 1.932, g(perpendicular-to) almost-equal-to 1.985, A(parallel-to) almost-equal-to 175 x 10(-4) cm-1 and A(perpendicular-to) almost-equal-to 74 x 10(-4) cm-1) indicates a d(x2-y2) ground state with a dodecahedral (D2d) structure. Electrochemical studies of 1a-1d show a quasi-reversible one-electron V(IV)-V(III) reduction at almost-equal-to -0.7 V vs. saturated calomel electrode (SCE). The manganese(III) complexes [Mn(aacda)3] 2a-2c are all high-spin species (mu(eff) 5.01-5.10) and exhibit two ligand-to-metal charge-transfer bands at almost-equal-to 610 and 530 nm. Their cyclic voltammograms reveal the presence of two quasi-Nernstian couples: E1/2(ox) = 0.1 V and E1/2(red) = -0.33 V vs. SCE due to Mn(IV)Mn(III) and Mn(III)-Mn(II)l electron transfers respectively.

  DOI：

  10.1039/dt9920003439