| 146831-35-8

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• CAS: 146831-35-8；863509-47-1
• 化学式: C₅
• 分子量: 60.055
• InChiKey: GXAHENLXODANMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  5.0
• 可旋转键数：
  2.0
• 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：

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

  Vibrationally resolved spectra of C₂–C₁₁ by anion photoelectron spectroscopy

  摘要：

  Anion photoelectron spectroscopy has been employed to obtain vibrationally resolved spectra of the carbon molecules C2–C11. The spectra of C−2–C−9 are dominated by linear anion to linear neutral photodetachment transitions. Linear to linear transitions contribute to the C−11 spectrum, as well. From these spectra, vibrational frequencies and electron affinities are determined for the linear isomers of C2–C9 and C11. The term value is also obtained for the first excited electronic state of linear C4. The spectra of C−10 and C−11 show evidence for transitions involving cyclic anions and/or neutrals. Similar types of transitions are identified in the spectra of other smaller molecules, specifically C−6, C−8, and to a lesser extent C−5.

  DOI：

  10.1063/1.461211

文献信息

• Planar to Linear Structural Transition in Small Boron−Carbon Mixed Clusters: C_<i>x</i>B_5<i>−x</i>⁻ (<i>x</i> = 1−5)
  作者：Lei-Ming Wang、Boris B. Averkiev、Jordan A. Ramilowski、Wei Huang、Lai-Sheng Wang、Alexander I. Boldyrev

  DOI：10.1021/ja103846q

  日期：2010.10.13

  also reflected in their clusters. Small carbon clusters form linear structures, whereas boron clusters are planar. For example, it is known that the B(5)(-) cluster possesses a C(2v) planar structure and C(5)(-) is a linear chain. Here we study B/C mixed clusters containing five atoms, C(x)B(5-x)(-) (x = 1-5), which are expected to exhibit a planar to linear structural transition as a function of the

  大块碳和硼形成非常不同的材料，这也反映在它们的簇中。小碳簇形成线性结构，而硼簇是平面结构。例如，已知 B(5)(-) 簇具有 C(2v) 平面结构，C(5)(-) 是线性链。在这里，我们研究了包含五个原子的 B/C 混合簇，C(x)B(5-x)(-) (x = 1-5)，预计它们会表现出作为 C 函数的平面到线性结构转变内容。C(x)B(5-x)(-) (x = 1-5) 簇是通过光电子能谱产生和研究的；使用各种理论方法研究了它们的几何和电子结构。我们发现平面到线性的转变发生在 x = 2 和 3 之间：富含 B 的簇的全局最小结构 CB(4)(-) 和 C(2)B(3)(-) 是平面，类似于 B(5)(-)，