dichlorocarbene(1-) | 118364-73-1

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: dichlorocarbene(1-)
• CAS: 118364-73-1
• 化学式: CCl₂
• 分子量: 82.917
• InChiKey: OZJHVHSKMWSCKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.46
• 重原子数：
  3.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1,1-二氯乙烯 在 superoxide radical anion 作用下， 以6%的产率得到dichlorocarbene(1-)
  参考文献：
  名称：

  氯化乙烯气相负离子化学中的反应途径

  摘要：

  O2-、O-、OH-、CF3- 和 F- 与三氯乙烯 (CCl2CHCl)、1,1-二氯乙烯 (CH2CCl2) 和 Z (cis) 的气相反应的反应速率系数和离子产物以及介绍了 E (trans)-1,2-dichloroethene (CHClCHCl)。除了 CCl2CHCl，O2-双分子反应速率系数大大低于碰撞值。所有其他阴离子与具有等于或接近（在两倍内）相应碰撞值的速率系数的分子反应。实验结果被解释为由对碳的亲核攻击或质子提取引发的途径。质子提取是 O-、OH-、CF3- 和 F- 与二氯乙烯的三种异构体反应的放热通道，但 C2HCl2- 仅在 E-CHClCHCl 中直接观察到。

  DOI：

  10.1039/b002866p

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D2, 4.1.2.7.4.3, page 225 - 227
  作者：

  DOI：——

  日期：——
• Reactions of the benzyne radical anion in the gas phase, the acidity of the phenyl radical, and the heat of formation of o-benzyne
  作者：Yili Guo、Joseph J. Grabowski

  DOI：10.1021/ja00016a001

  日期：1991.7

  The thermally equilibrated ion-molecule reactions of the o-benzyne radical anion have been examined in the gas phase with the flowing afterglow technique. By using the bracketing technique between o-C6H4.- and Bronsted acids of known acidity, we have established the gas-phase acidity of the phenyl radical as DELTA-G-degrees acid[C6H5.] = 371(-3)+6 kcal mol-1. Combination of our experimental acidity of the phenyl radical with appropriate thermochemical data from the literature yields a variety of substantially improved thermochemical values of C6H4 and C6H5. species, most notably, DELTA-H(f)-degrees [o-C6H4] = 105 kcal mol-1. In addition to behaving as a Bronsted base, o-benzyne radical anion is found to undergo a number of other reactions, including electron transfer, H/D exchange, H2+ transfer, and direct addition. The reaction between o-C6H4.- and the simple aliphatic alcohols is shown to be a competition between proton transfer and H2+ transfer while that between o-C6H4.- and dioxygen or 1,3-butadiene is found to be exclusively an associative detachment process. One unanticipated, novel observation from these studies is the facile formation of an addition complex between the o-benzyne radical anion and carbon dioxide, leading to a distonic radical anion (benzoate-type anion, phenyl-type radical) that offers a unique opportunity for examining radical chemistry in ion-molecule encounter complexes.
• Negative-ion mass spectra of polyatomic molecules
  作者：K. A. G. MacNeil、J. C. J. Thynne

  DOI：10.1039/tf9686402112

  日期：——
• Reaction pathways in the gas phase negative ion chemistry of chlorinated ethenes
  作者：Richard A. Kennedy、Chris A. Mayhew、Robert Peverall、Peter Watts

  DOI：10.1039/b002866p

  日期：——

  The reaction rate coefficients and ion products for the gas-phase reactions of O2−, O−, OH−, CF3−, and F− with trichloroethene (CCl2CHCl), 1,1-dichloroethene (CH2CCl2), and Z (cis) and E (trans)-1,2-dichloroethene (CHClCHCl) are presented. With the exception of CCl2CHCl, the O2− bimolecular reaction rate coefficients are substantially below the collisional values. All the other anions react with the

  O2-、O-、OH-、CF3- 和 F- 与三氯乙烯 (CCl2CHCl)、1,1-二氯乙烯 (CH2CCl2) 和 Z (cis) 的气相反应的反应速率系数和离子产物以及介绍了 E (trans)-1,2-dichloroethene (CHClCHCl)。除了 CCl2CHCl，O2-双分子反应速率系数大大低于碰撞值。所有其他阴离子与具有等于或接近（在两倍内）相应碰撞值的速率系数的分子反应。实验结果被解释为由对碳的亲核攻击或质子提取引发的途径。质子提取是 O-、OH-、CF3- 和 F- 与二氯乙烯的三种异构体反应的放热通道，但 C2HCl2- 仅在 E-CHClCHCl 中直接观察到。