| 111614-45-0

• 分子结构分类: 有机化合物
• CAS: 111614-45-0
• 化学式: C₁₀H₃₀CrN₆
• 分子量: 296.305
• InChiKey: BSPJNFLSELEQGU-NLAGYVBISA-N

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：

  、 重水 在 (C₅H₄N(CH₃))2⁽¹⁺⁾ 作用下， 以 重水 为溶剂， 生成
  参考文献：
  名称：

  激发态三环仙客来配合物的电子转移和能量转移猝灭以及铬（II）产物的氧化还原反应

  摘要：

  The 2E excited states trans-[*Cr([14]aneN4)(NH3)2]3+ and trans-[*Cr([14]aneN4)(CN)2]+ oxidize methyl viologen radical cation, MV+, in D2O with rate constants k = 1.09 x 10(9) M-1 s-1 and 3.10 x 10(9) M-1 s-1, respectively, at 298 K and 0.050 M ionic strength. The initial chromium(II) products rapidly aquate to yield trans-[Cr([14]aneN4)(H2O)2]2+, which reduces MV2+ back to MV+. This reaction is strongly catalyzed by coordinating anions Cl-, Br-, and SCN-. For X = Cl and Br, the final chromium product is trans-Cr([14]aneN4)(H2O)(X)]2+. The kinetics obey a mixed third-order rate law, k(obs) = k(x)[MV2+] [trans-Cr-([14]aneN4)(H2O)22+][X-1, with k(Cl) = 4.65 x 10(5) M-2 s-1 and k(Br) = 5.22 x 10(5) M-2 s-1 at 298 K and 0.25 M ionic strength. The SCN--catalyzed reaction has a more complex rate law and yields trans-[Cr([14]aneN4)-(NCS)2]+ (NCS)2]+ as the chromium product implying trans-[Cr([14]aneN4)(NCS)2] as the sole kinetically important form of chromium(II). The quenching of trans-[*Cr([14]aneN4)(CN)2]+ by Cr(H2O)62+ (k = 5.23 x 10(7) M-1 s-1), V(H2O)62+ (k = 2.08 X 10(7)), and VO(H2O)52+ (k = 4.54 X 10(6)) takes place by energy transfer.

  DOI：

  10.1021/j100149a026