carbon

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: carbon
• 英文别名: carbon cluster；carbon-carbon carbon；methane
• 化学式: C₃
• 分子量: 36.033
• InChiKey: ZJCFNHIEEPXKSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.91
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  乙炔 、 carbon 生成
  参考文献：
  名称：

  Reactions of carbon cluster ions with small hydrocarbons

  摘要：

  The ion/molecule reactions of laser-generated carbon cluster ions, C+n (n=3–20), with the neutral hydrocarbons CH4, C2H2, and C2H4 are studied using Fourier transform mass spectrometry. Branching ratios and rate constants are reported for the observed reactions. The reactions and proposed mechanisms are consistent with previous results and suggest a structural change of the cluster ions from linear to cyclic between n=9 and 10. The proposed reaction mechanisms include carbene insertion into both the C–H bonds and the unsaturated C–C bonds of the reactant neutrals. The reactions of the cluster ions with the unsaturated hydrocarbons C2H2 and C2H4 are the first systems in which the cyclic (n≥10) cluster ions are reactive. The results of the reactivity of the carbon cluster ions with the carbon-containing neutrals are discussed in terms of the stability of the clusters toward carbon atom addition and cluster growth. Further evidence is reported for the presence of structural isomers (linear and cyclic) of C+7 including a novel reaction sequence used to remove the linear isomer so that the reactivity of the cyclic isomer with C2H2 may be studied independently.

  DOI：

  10.1063/1.455103
• 作为产物：
  描述：

  甲烷 以 neat (no solvent) 为溶剂， 生成 carbon
  参考文献：
  名称：

  Mishima, Kenji; Yamashita, Koichi, Journal of Chemical Physics, 1998, vol. 109, p. 1810 - 1818

  摘要：

  DOI：

文献信息

• Pulsed discharge source of supersonically cooled transient species
  作者：R. Schlachta、G. Lask、S.H. Tsay、V.E. Bondybey

  DOI：10.1016/0301-0104(91)87026-r

  日期：1991.8

  discharge with pulsed supersonic expansion is shown to be a versatile tool for spectroscopic studies of a variety of transient species. High concentrations of cold small radicals have been generated using suitable precursors, and detected by laser induced fluorescence. Discharging of halogenated methanes provides an efficient source of halogenated carbenes. Molecular radical cations are similarly efficiently

  直流放电与脉冲超声速膨胀相结合的光源被证明是用于多种瞬态物质的光谱研究的多功能工具。使用合适的前驱物已经产生了高浓度的冷小自由基，并通过激光诱导的荧光进行检测。卤化甲烷的排放提供了卤代卡宾的有效来源。类似地，可以有效地产生分子自由基阳离子，这可能是由于Penning电离过程与亚稳态稀有气体原子碰撞所致。电极的反应性溅射显示出可生成金属卤化物和类似的简单金属化合物。提出并讨论了将放电源作为矩阵隔离研究的有用工具的应用。
• Carbon cluster formation in regenerative sooting plasmas
  作者：Shoaib Ahmad

  DOI：10.1016/s0375-9601(99)00633-7

  日期：1999.10

  Abstract Laboratory formation of large carbon clusters C m ( m ≤10 4 ) in carbonaceous plasmas is studied by using a specially designed ion source. Carbon is introduced into the glow discharge plasma by graphite sputtering. Regenerative sooting plasma creates clustering environment. Velocity spectra of the extracted clusters indicates the mechanisms operating in the soot.

  摘要 利用特殊设计的离子源研究了碳质等离子体中大碳簇C m ( m ≤10 4 ) 的实验室形成。通过石墨溅射将碳引入辉光放电等离子体。再生烟尘等离子体创建聚集环境。提取的簇的速度谱表明在烟尘中运行的机制。
• Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds
  作者：Xuefeng Wang、Lester Andrews、Per-Åke Malmqvist、Björn O. Roos、António P. Gonçalves、Cláudia C. L. Pereira、Joaquim Marçalo、Claude Godart、Benjamin Villeroy

  DOI：10.1021/ja102475t

  日期：2010.6.23

  Laser evaporation of carbon-rich uranium/carbon alloys followed by atom reactions in a solid argon matrix and trapping at 8 K gives weak infrared absorptions for CUO at 852 and 804 cm(-1). A new band at 827 cm(-1) becomes a doublet with mixed carbon 12 and 13 isotopes and exhibits the 1.0381 isotopic frequency ratio, which is appropriate for the UC diatomic molecule, and another new band at 891 cm(-1)

  富碳铀/碳合金的激光蒸发，然后是固体氩基质中的原子反应，并在 8 K 下捕获，在 852 和 804 cm(-1) 处为 CUO 提供微弱的红外吸收。827 cm(-1) 处的新谱带变成了混合碳 12 和 13 同位素的双峰，并显示出 1.0381 同位素频率比，这适用于 UC 双原子分子，而 891 cm(-1) 处的另一个新谱带给出了具有 1.0366 同位素频率比的三波段混合同位素谱，这是线性 CUC 分子的特征。具有动力学相关性的 CASPT2 计算发现 C[三键]U[三键]C 基态为线性 3Sigma(u)+，具有 1.840 A 键长和分子轨道占有率，有效键阶为 2.83。
• Infrared emission spectra of C₃: the Renner effect in the<i>a</i>̃³Π_<i>u</i>and<i>b</i>̃³Π_<i>g</i>electronic states
  作者：D. W. Tokaryk、Svatopluk Civiš

  DOI：10.1063/1.469580

  日期：1995.9.8

  Five new triplet bands of 12C3, and three corresponding bands of 13C3, have been observed in emission between 6000 and 6600 cm−1 with a Fourier transform spectrometer. Rotational analysis shows that these bands arise from excited bending vibrations of the b̃3Πg→ã3Πu electronic transition, and that all components of the (010) vibrational level of the b̃3Πg state exhibit unusual perturbations. Renner parameters for both electronic states have been extracted from an analysis of the spin-orbit parameters of the (000) 3Π, (010) 3Δ, (020) 3Φ, and (030) 3Γ levels. The Renner effect is shown to be large in both electronic states (ε′ = +0.447, ε″ = +0.566). Approximate bending vibrational frequencies are also obtained (ω2′∼345 cm−1, ω2″∼505 cm−1).
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 4.7, page 63 - 68
  作者：

  DOI：——

  日期：——