but-3-enylium | 25268-58-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: but-3-enylium
• 英文别名: but-1-ene
• CAS: 25268-58-0
• 化学式: C₄H₇
• 分子量: 55.0996
• InChiKey: OTFDDODMVXCVBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  4
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  丁烯 在 铂 作用下， 以 gas 为溶剂， 生成 but-3-enylium
  参考文献：
  名称：

  Thermal and Near-Thermal Reactions of Pt⁺ and Au⁺ with Small Alkenes

  摘要：

  The gas-phase reactions of Pt+ and Au+ with C2H4, C3H6, 1-C4H8, cis-2-C4H8, and trans-2-C4H8 have been carried out under thermal and near-thermal conditions using a SIFT reactor and a drift cell. In all reactions examined here, Pt+ exhibits dehydrogenation as the dominant primary product channel, but elimination of methane and ethene are observed in some systems in small amounts. Evidence for both allylic and vinylic activation of sigma-bonds is observed. Observation of these bimolecular processes allow us to calculate D(Pt+. acetylene) > 49.76 +/- 0.01 kcal/mol, D(Pt+. allene) > 40.75 +/- 0.01 kcal/mol, D(Pt+. propyne) > 39.7 +/- 0.1 kcal/mol and D(Pt+. butadiene) > 29.01 +/- 0.01 kcal/mol. Hydride abstraction is also observed as a minor product channel in the reactions of Pt+ with C3H6 and all three butene isomers. Secondary and tertiary reactions in the Pt+ systems are limited to clustering reactions. Hydride abstraction is the only primary bimolecular pathway observed in the reactions of Au+ with propene as well as the butene isomers. Au+ forms adducts with both C2H4 and C3H6 in primary steps. Follow-on reactions are also observed in the Au+ systems which include both bimolecular and clustering steps. Ion mobility experiments carried out using the drift cell indicate that both Pt+ and Au+ are in their ground states in the reactions described here. However, we show evidence that an Au+ excited state can be populated under the appropriate ionizing conditions. Reduced zero-field mobilities for ground-state Pt+ and Au+ have been determined to be 20.6 +/- 0.6 and 19.5 +/- 0.5 cm(2)/V . s, respectively.

  DOI：

  10.1021/jp963927n

文献信息

• A study of ion–molecule reactions in the gas phase. Part 3. The reactions of methyl and fluoromethyl cations with alkenes and fluoroalkenes in the gas phase
  作者：Keith Stanney、John M. Tedder、Alan L. Mitchell

  DOI：10.1039/p29860001383

  日期：——

  The reactions of CH3+, CH2F+, CHF2+, and CF3+ with ethene, fluoro-, 1,1-difluoro-, trifluoro-, and tetrafluoro-ethene and with propene, but-1-ene, but-2-ene, and 2-methylpropene have been studied in the gas phase. As well as simple charge exchange, addition reactions were observed in which the initial adduct broke down to yield neutral fragments and ions of either general formula (CnX2n+1)+ or (CnX2n–1)+

  CH 3 +，CH 2 F +，CHF 2 +和CF 3 +与乙烯，氟代，1,1-二氟，三氟和四氟乙烯以及丙烯，丁-1-烯的反应，在气相中已经研究了丁-2-烯和2-甲基丙烯。除简单的电荷交换外，还观察到加成反应，其中最初的加合物分解生成中性碎片和离子，通式为（C n X 2 n +1）+或（C n X 2 n –1）+，其中X = H和/或F。初始瞬态加合物离子的断裂通常与氢原子和/或氟原子迁移有关。