indan radical | 55003-52-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: indan radical
• CAS: 55003-52-6
• 化学式: C₉H₉
• 分子量: 117.17
• InChiKey: JOFFJARSRFIKPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  indan radical 生成 茚满 、 2,2',3,3'-tetrahydro-1H,1'H-1,1'-biindene 、 茚
  参考文献：
  名称：

  氢芳基的歧化-复合速率比

  摘要：

  DOI：

  10.1021/j150668a033
• 作为产物：
  描述：

  茚满 在 二叔丁基过氧化物 作用下， 以 苯 为溶剂， 生成 indan radical
  参考文献：
  名称：

  液相中某些共振稳定的氢芳基自由基的终止和TEMPO捕获的速率常数

  摘要：

  The rate constants for the termination reaction (2k(1)) of some resonance stabilized carbon centered radicals (SR(.)) derived from hydroaromatics (SR(.) + SR(.) --> P) have been determined at 294 +/- 2 K by laser flash photolysis with UV-vis detection. The radicals were generated by hydrogen atom abstraction by t-BuO(.) radicals from the corresponding hydrocarbon (SRH + t-BuO(.) --> SR(.) + t-BuOH, k(4)). The extinction coefficients (epsilon) Of the SR(.), essential to calculate 2k(1), were obtained using a relative kinetic technique. The change in 2k(1) for the radicals derived from 1,4-cyclohexadiene, fluorene, 9,10-dihydroanthracene, diphenylmethane, tetralin, indan, indene, and phenol appeared to be modest; a range of 2k(1) = 2-10 x 10(9) M(-1) s(-1) in mixtures of benzene and di-tert-butyl peroxide was observed. Most of the rate constants are near the diffusion controlled limit. In contrast, quenching the radicals with a persistent radical, 2,2,5,5-tetramethylpiperidin-1-oxyl (TEMPO), resulted in a larger variation of <0.01-23 x 10(7) M(-1) s(-1). The strength of the N-O bond formed in the latter process may have an important contribution to the observed rate constant.

  DOI：

  10.1021/j100020a047

文献信息

• Denisov, Russian Journal of Physical Chemistry, 1996, vol. 70, # 2, p. 238 - 241
  作者：Denisov

  DOI：——

  日期：——
• Rate Constants for Termination and TEMPO Trapping of Some Resonance Stabilized Hydroaromatic Radicals in the Liquid Phase
  作者：I. W. C. E. Arends、P. Mulder、K. B. Clark、D. D. M. Wayner

  DOI：10.1021/j100020a047

  日期：1995.5

  The rate constants for the termination reaction (2k(1)) of some resonance stabilized carbon centered radicals (SR(.)) derived from hydroaromatics (SR(.) + SR(.) --> P) have been determined at 294 +/- 2 K by laser flash photolysis with UV-vis detection. The radicals were generated by hydrogen atom abstraction by t-BuO(.) radicals from the corresponding hydrocarbon (SRH + t-BuO(.) --> SR(.) + t-BuOH, k(4)). The extinction coefficients (epsilon) Of the SR(.), essential to calculate 2k(1), were obtained using a relative kinetic technique. The change in 2k(1) for the radicals derived from 1,4-cyclohexadiene, fluorene, 9,10-dihydroanthracene, diphenylmethane, tetralin, indan, indene, and phenol appeared to be modest; a range of 2k(1) = 2-10 x 10(9) M(-1) s(-1) in mixtures of benzene and di-tert-butyl peroxide was observed. Most of the rate constants are near the diffusion controlled limit. In contrast, quenching the radicals with a persistent radical, 2,2,5,5-tetramethylpiperidin-1-oxyl (TEMPO), resulted in a larger variation of <0.01-23 x 10(7) M(-1) s(-1). The strength of the N-O bond formed in the latter process may have an important contribution to the observed rate constant.
• Disproportionation-recombination rate ratios for hydroaromatic radicals
  作者：Michael J. Manka、Stephen E. Stein

  DOI：10.1021/j150668a033

  日期：1984.11