carbon cluster

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: carbon cluster
• 英文别名: methane
• 化学式: C₅
• 分子量: 60.055
• InChiKey: ACMZRANEAULGLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  5
• 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 cluster 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：

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

  固态氩中分离出的大型线性碳簇的电子吸收和共振拉曼光谱。

  摘要：

  中性和阴离子碳簇是通过激光诱导的石墨基等离子体产生的，并沉积在固体氩气基质中。通过使用交叉的电子/碳簇束，由中性簇形成阴离子簇。热退火（至36 K）导致较小碳物种的聚集，导致长链中性和阴离子簇的形成。在紫外线，可见光，近红外和红外区域的光谱测量结果显示，一系列谱带可归因于一组奇数的C5-C29中性簇和偶数的C6（-）-C36-阴离子簇。对于包含奇数C15-C21中性甚至C6（-）-C22-阴离子的碳链的能带位置，人们已经发现了很好的一致性，这与Maier和同事先前使用质量选择或激光汽化识别的物种相同，其次是霓虹灯矩阵隔离。中性C17，C21和C23物种的共振拉曼频率显示与上述归因一致。密度泛函理论计算与观察到的谱带非常吻合。发现某些低频拉曼拉伸频率随着链长的增加以可预测的方式降低。偶数C18（-）-C36-阴离子簇与“未识别的”红外（UIR）星际发射带的0（0）0吸收跃迁的比较表明，特定长

  DOI：

  10.1016/s1386-1425(00)00443-1

文献信息

• 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。
• UV and IR absorption spectra of C3 embedded in solid para-hydrogen
  作者：Hiromichi Hoshina、Yoshiyasu Kato、Yusuke Morisawa、Tomonari Wakabayashi、Takamasa Momose

  DOI：10.1016/j.chemphys.2004.01.018

  日期：2004.5

  presents the UV and IR absorption spectroscopy of small carbon molecules of C3 observed using a high-resolution Fourier-transform spectrometer. The C3 molecules were produced by irradiation of dimers or larger clusters of acetylene with an ArF laser (λ=193 nm). Sharp UV absorption features with multiple structures were observed in the electronic transition of C3. The sharp UV absorption demonstrates the

  本文介绍了使用高分辨率傅里叶变换光谱仪观察到的C 3小碳分子的紫外和红外吸收光谱。C 3分子是通过ArF激光（λ = 193 nm）照射二聚体或更大的乙炔簇而产生的。在C 3的电子跃迁中观察到具有多种结构的尖锐的紫外线吸收特征。强烈的紫外线吸收表明，固体对氢有可能作为紫外线-电子跃迁的高分辨率光谱的基质。
• Carbon cluster cations with up to 84 atoms: structures, formation mechanism, and reactivity
  作者：Gert von Helden、Ming Teh Hsu、Nigel Gotts、Michael T. Bowers

  DOI：10.1021/j100133a011

  日期：1993.8

  Carbon clusters are generated by laser desorption. Mass-selected beams are then pulse injected into an ion chromatography (IC) device. This device temporally and spatially separates the beam into its isomeric components. Arrival time distributions (ATDs) are then measured at the detector. From these distributions, accurate mobilities are obtained for each isomeric component, along with the fractional abundance of each isomer. Different isomer structures are calculated using quantum chemical methods. A Monte Carlo technique uses these structures to obtain accurate theoretical mobilities. Comparison of theory with experiment allows unambiguous structural assignment of the various families of isomers present in the cluster beam. The results indicate that, for carbon cluster cations, linear structures exist up to C-10+. Several families of planar ring systems begin with monocyclic rings (ring I), which first appear at C-7+ and persist beyond C40+. Bicyclic rings (ring II) are first observed at C21+ and persist beyond C40+, followed by tricyclic rings (ring III, initiated at C30+) and tetracyclic rings (ring IV, initiated at C40+). A 3-dimensional family we label as 3-D rings begins at C29+, whose structure is not yet unambiguously assigned. This family never exceeds 5% of the ions at any cluster size. Finally, the first fullerene is observed at C30+, with this family dominating above C50+. The growth pattern of carbon, beginning with C atoms, is shown to be linear --> monocyclic rings --> polycyclic rings --> fullerenes. No graphitic or ''cup'' shaped isomers are observed, eliminating these species as building blocks for fullerenes. Our structural data, when coupled with recently published annealing studies, indicate that fullerenes are formed from isomerization of hot planar ring systems and that monocyclic rings and fullerenes are close in energy between C30+ and C36+ with fullerenes dominating above C36+. Reactions Of C-7+ to C-15+ with O2 and NO are reported and indicate that linear chains are generally much more reactive than rings. Finally, C60 and C70 are made with up to four positive charges but retain the fullerene cage structure.
• Fullerene and nanotube synthesis. plasma spectroscopy studies
  作者：Przemysław Byszewski、Hubert Lange、Andrzej Huczko、Jürgen F. Behnke

  DOI：10.1016/s0022-3697(97)00051-6

  日期：1997.11

  Carbon plasma emission spectoscopy allows the determination of the temperature and density of carbon vapour in the are zone where carbon nanostructures are formed. We focus our attention on carbon nanotube growth which depends on the are current and buffer gas pressure. Our spectral measurements elucidate the general trend governing efficient nanotube formation. (C) 1997 Elsevier Science Ltd.
• Evolution of clusters in energetic heavy ion bombarded amorphous graphite
  作者：M.N. Akhtar、Bashir Ahmad、Shoaib Ahmad

  DOI：10.1016/s0375-9601(97)00581-1

  日期：1997.10

  Carbon clusters have been generated by a novel technique of energetic heavy ion bombardment of amorphous graphite. The evolution of clusters and their subsequent fragmentation under continuing ion bombardment is revealed by detecting various clusters in the energy spectra of the direct recoils emitted as a result of collision between ions and surface constituents. (C) 1997 Published by Elsevier Science B.V.