1-naphthalenium ion | 37889-56-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-naphthalenium ion
• 英文别名: α-naphthaleneH(1+)；1H-naphthalenium；Naphthaliniumkation；1,4-Dihydronaphthalen-4-ylium；1,4-dihydronaphthalen-4-ylium
• CAS: 37889-56-8；37889-57-9；65482-05-5；150858-12-1
• 化学式: C₁₀H₉
• 分子量: 129.181
• InChiKey: CKWKHPKPHMQXSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 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：

  1-naphthalenium ion 在 H 作用下， 生成 1,2-二氢萘
  参考文献：
  名称：

  Reactions of Cations Derived from Naphthalene with Molecules and Atoms of Interstellar Interest

  摘要：

  The chemistry of naphthalene radical cation and its derivatives (C(10)H(n)(+), n = 6,7,8,9) has been studied with molecules and atoms of interstellar interest in a selected ion flow tube. The radical cation C(10)H(8)(+) is unreactive with H(2), CO, H(2)O, and NH(3) but reacts with H, O, and N atoms. Adduct formation is the only channel detected in the case of reaction with H atoms, but additional channels contribute in reactions between C(10)H(8)(+) and O and N atoms; these latter reactions proceed through novel reaction pathways via C and CH abstraction, leading to the formation of the stable compounds CO and HCN, respectively. The closed-shell naphthylium cation C(10)H(7)(+) is essentially unreactive with atoms but associates via nucleophilic addition with most of the molecules studied. The reaction kinetics are close to saturation in the accessible helium pressure range. The naphthyne radical cation C(10)H(6)(+) does not react with H(2), CO, or H(2)O but forms an adduct with NH(3) at a moderate rate. Reactions with atoms were found to be very similar to those of C(10)H(8)(+) The implications of these results for the stability of polycyclic aromatic hydrocarbon cations in the interstellar medium are briefly discussed.

  DOI：

  10.1021/ja983472a
• 作为产物：
  描述：

  naphthylium cation 在 氢气 作用下， 生成 1-naphthalenium ion
  参考文献：
  名称：

  Reactions of Cations Derived from Naphthalene with Molecules and Atoms of Interstellar Interest

  摘要：

  The chemistry of naphthalene radical cation and its derivatives (C(10)H(n)(+), n = 6,7,8,9) has been studied with molecules and atoms of interstellar interest in a selected ion flow tube. The radical cation C(10)H(8)(+) is unreactive with H(2), CO, H(2)O, and NH(3) but reacts with H, O, and N atoms. Adduct formation is the only channel detected in the case of reaction with H atoms, but additional channels contribute in reactions between C(10)H(8)(+) and O and N atoms; these latter reactions proceed through novel reaction pathways via C and CH abstraction, leading to the formation of the stable compounds CO and HCN, respectively. The closed-shell naphthylium cation C(10)H(7)(+) is essentially unreactive with atoms but associates via nucleophilic addition with most of the molecules studied. The reaction kinetics are close to saturation in the accessible helium pressure range. The naphthyne radical cation C(10)H(6)(+) does not react with H(2), CO, or H(2)O but forms an adduct with NH(3) at a moderate rate. Reactions with atoms were found to be very similar to those of C(10)H(8)(+) The implications of these results for the stability of polycyclic aromatic hydrocarbon cations in the interstellar medium are briefly discussed.

  DOI：

  10.1021/ja983472a

文献信息

• Reactions of Cations Derived from Naphthalene with Molecules and Atoms of Interstellar Interest
  作者：Valéry Le Page、Yeghis Keheyan、Theodore P. Snow、Veronica M. Bierbaum

  DOI：10.1021/ja983472a

  日期：1999.10.1

  The chemistry of naphthalene radical cation and its derivatives (C(10)H(n)(+), n = 6,7,8,9) has been studied with molecules and atoms of interstellar interest in a selected ion flow tube. The radical cation C(10)H(8)(+) is unreactive with H(2), CO, H(2)O, and NH(3) but reacts with H, O, and N atoms. Adduct formation is the only channel detected in the case of reaction with H atoms, but additional channels contribute in reactions between C(10)H(8)(+) and O and N atoms; these latter reactions proceed through novel reaction pathways via C and CH abstraction, leading to the formation of the stable compounds CO and HCN, respectively. The closed-shell naphthylium cation C(10)H(7)(+) is essentially unreactive with atoms but associates via nucleophilic addition with most of the molecules studied. The reaction kinetics are close to saturation in the accessible helium pressure range. The naphthyne radical cation C(10)H(6)(+) does not react with H(2), CO, or H(2)O but forms an adduct with NH(3) at a moderate rate. Reactions with atoms were found to be very similar to those of C(10)H(8)(+) The implications of these results for the stability of polycyclic aromatic hydrocarbon cations in the interstellar medium are briefly discussed.