cyclopenta-1,3-diene;molybdenum(4+);thieno[3,2-b]quinoxaline-2,3-dithiolate | 189878-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: cyclopenta-1,3-diene;molybdenum(4+);thieno[3,2-b]quinoxaline-2,3-dithiolate
• CAS: 189878-26-0
• 化学式: C₂₀H₁₄MoN₂S₃
• 分子量: 474.483
• InChiKey: KBESIDTYDUAMBD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  cyclopenta-1,3-diene;molybdenum(4+);thieno[3,2-b]quinoxaline-2,3-dithiolate 在 Br₂ 作用下， 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Metallo 2,3-Disulfidothienoquinoxaline, 2,3-Disulfidothienopyridine, and 2-Sulfido-3-oxidothienoquinoxaline Complexes:  Synthesis and Characterization

  摘要：

  The 2,3-disulfidothienoquinoxaline complexes of Cp2Mo and dppePd and the 2,3-disulfidothienopyridine complexes of Cp2Mo were obtained as products from the S-8 oxidation of the corresponding metallo-1,2-enedithiolate complexes. The analogous 2-sulfido-3-oxidothienoquinoxaline complexes of Cp2Ti, Cp2Mo, dppPd, and dppePt were prepared from 1-(quinoxalin-2-yl)-2-bromoethanone and the corresponding polysulfido complex. Both Cp2Mo{S2C10H4N2S} and Cp2Mo{SOC10H4N2S} have been characterized crystallographically. These complexes contain an extended planar ring where the metal is bound to substituents at the 2- and 3-positions of the thiophene ring. The oxidation products of the Cp2Mo derivatives all have EPR g values near 1.98 and Mo-97/95 hyperfine of less than or equal to 8.5 G. All of the complexes have a visible band assigned to an intraligand transition (IL). The excitation of a room-temperature DMSO solution of dppePt{SOC10H4N2S} leads to an emission at 690 nm with a phi = 0.005. Lifetime measurements were best fit as the sum of two exponential decays with lifetimes of 6 and 0.3 ns.

  DOI：

  10.1021/ic961428v
• 作为产物：
  描述：

  1,2,3,4,5,6,7,8-八硫杂环辛烷 、 Cp2Mo(η(2)-SC(2-quinoxalinyl)C(H)S) 在 HBF₄ etherate 、 Et₃N 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以67%的产率得到cyclopenta-1,3-diene;molybdenum(4+);thieno[3,2-b]quinoxaline-2,3-dithiolate
  参考文献：
  名称：

  Metallo 2,3-Disulfidothienoquinoxaline, 2,3-Disulfidothienopyridine, and 2-Sulfido-3-oxidothienoquinoxaline Complexes:  Synthesis and Characterization

  摘要：

  The 2,3-disulfidothienoquinoxaline complexes of Cp2Mo and dppePd and the 2,3-disulfidothienopyridine complexes of Cp2Mo were obtained as products from the S-8 oxidation of the corresponding metallo-1,2-enedithiolate complexes. The analogous 2-sulfido-3-oxidothienoquinoxaline complexes of Cp2Ti, Cp2Mo, dppPd, and dppePt were prepared from 1-(quinoxalin-2-yl)-2-bromoethanone and the corresponding polysulfido complex. Both Cp2Mo{S2C10H4N2S} and Cp2Mo{SOC10H4N2S} have been characterized crystallographically. These complexes contain an extended planar ring where the metal is bound to substituents at the 2- and 3-positions of the thiophene ring. The oxidation products of the Cp2Mo derivatives all have EPR g values near 1.98 and Mo-97/95 hyperfine of less than or equal to 8.5 G. All of the complexes have a visible band assigned to an intraligand transition (IL). The excitation of a room-temperature DMSO solution of dppePt{SOC10H4N2S} leads to an emission at 690 nm with a phi = 0.005. Lifetime measurements were best fit as the sum of two exponential decays with lifetimes of 6 and 0.3 ns.

  DOI：

  10.1021/ic961428v