N'-(di(naphthalen-2-yl)methylene)-4-methylbenzenesulfonohydrazide | 225367-72-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N'-(di(naphthalen-2-yl)methylene)-4-methylbenzenesulfonohydrazide
• CAS: 225367-72-6
• 化学式: C₂₈H₂₂N₂O₂S
• 分子量: 450.561
• InChiKey: YWZHMIUDYFZTQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.03
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  58.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N'-(di(naphthalen-2-yl)methylene)-4-methylbenzenesulfonohydrazide 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 正己烷 、 水 为溶剂， 反应 1.0h， 生成 2,2-Dinaphthylcarbene
  参考文献：
  名称：

  Zero-Field Splitting of the Electronic Ground and Lowest Excited Triplet States of 2,2-Dinaphthylcarbene in n-Hexane at 1.7 K

  摘要：

  The triplet-triplet fluorescence spectra of a new carbene, 2,2-dinaphthylcarbene in n-hexane and n-heptane, were studied at cryogenic temperatures. Synthesis of the carbene precursor, 2,2-dinaphthyldiazomethane, is described. Spectral holes were burned within the inhomogeneous 0,0 fluorescence excitation line assigned to the pseudo-E/trans conformer. The complicated pattern of burned holes was interpreted with a model taking into account the zero-field splitting (ZFS) of the ground T-0 and excited T-1 triplet states and the selectivity of the intersystem crossing channel. The unusual observation of antiholes was attributed to the extremely long spin-lattice relaxation time in the T-0 state. The analysis provided direct information about the ZFS parameters of the To and Ti states: E-0 = 0.022 +/- 0.001 cm(-1), D-0 = 0.477 +/- 0.001 cm(-1), E-1 = 0.006 +/- 0.0002 cm(-1) and D-1 = 0.043 +/- 0.0005 cm(-1).

  DOI：

  10.1021/jp984581e
• 作为产物：
  描述：

  二-1-萘基甲酮 、 对甲苯磺酰肼 以 甲苯 为溶剂， 以88%的产率得到N'-(di(naphthalen-2-yl)methylene)-4-methylbenzenesulfonohydrazide
  参考文献：
  名称：

  Zero-Field Splitting of the Electronic Ground and Lowest Excited Triplet States of 2,2-Dinaphthylcarbene in n-Hexane at 1.7 K

  摘要：

  The triplet-triplet fluorescence spectra of a new carbene, 2,2-dinaphthylcarbene in n-hexane and n-heptane, were studied at cryogenic temperatures. Synthesis of the carbene precursor, 2,2-dinaphthyldiazomethane, is described. Spectral holes were burned within the inhomogeneous 0,0 fluorescence excitation line assigned to the pseudo-E/trans conformer. The complicated pattern of burned holes was interpreted with a model taking into account the zero-field splitting (ZFS) of the ground T-0 and excited T-1 triplet states and the selectivity of the intersystem crossing channel. The unusual observation of antiholes was attributed to the extremely long spin-lattice relaxation time in the T-0 state. The analysis provided direct information about the ZFS parameters of the To and Ti states: E-0 = 0.022 +/- 0.001 cm(-1), D-0 = 0.477 +/- 0.001 cm(-1), E-1 = 0.006 +/- 0.0002 cm(-1) and D-1 = 0.043 +/- 0.0005 cm(-1).

  DOI：

  10.1021/jp984581e