fullerene C84 | 145809-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: fullerene C84
• CAS: 145809-20-7
• 化学式: C₈₄
• 分子量: 1008.92
• InChiKey: KVZNIETVPJKVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.83
• 重原子数：
  84.0
• 可旋转键数：
  0.0
• 环数：
  44.0
• 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

• 作为反应物：
  描述：

  三氟碘甲烷 、 fullerene C84 反应 1.5h， 生成
  参考文献：
  名称：

  A minor isomer of C84 fullerene, D6h-C84(24), captured as a trifluoromethylated derivative, C84(CF3)12

  摘要：

  An isomer of C-84 fullerene, D-3d-C-84(24)(CF3)(12), has been isolated by the HPLC method from the products of trifluoromethylation of C-84 fullerene mixture. Its molecular structure has been determined by a single crystal X-ray diffraction using synchrotron radiation. In the addition pattern, 12CF(3) groups are arranged as a loop of edge-sharing para-C-6(CF3)(2) hexagons. Isomer D-6h-C-84(24) has been identified in the form of a derivative for the first time.

  DOI：

  10.1016/j.mencom.2016.07.015
• 作为产物：
  描述：

  graphite 以 neat (no solvent, solid phase) 为溶剂， 生成 fullerene C84
  参考文献：
  名称：

  Butcher, M. J.; Nolan, J. W.; Hunt, M. R. C., Physical Review B: Condensed Matter and Materials Physics, p. 1 - 6

  摘要：

  DOI：

文献信息

• Synthesis of a higher fullerene precursor—an “unrolled” C84 fullerene
  作者：Konstantin Amsharov、Martin Jansen

  DOI：10.1039/b901496a

  日期：——

  We report the synthesis of the C84(20)-fullerene related hydrocarbon C84H42, which possesses more than 83% of the C84(20)-fullerene connectivity, and its selective transformation to C84 by flash vacuum pyrolysis (FVP).

  我们报告了与C84(20)富勒烯相关的碳氢化合物C84H42的合成，该化合物具有超过83%的C84(20)富勒烯连接性，并且通过闪蒸真空热解（FVP）将其选择性转化为C84。
• Isolation and Crystallographic Characterization of ErSc₂N@C₈₀:  an Endohedral Fullerene Which Crystallizes with Remarkable Internal Order
  作者：Marilyn M. Olmstead、Ana de Bettencourt-Dias、J. C. Duchamp、S. Stevenson、Harry C. Dorn、Alan L. Balch

  DOI：10.1021/ja001984v

  日期：2000.12.1

  endohedral, ErSc2N@C80, has been determined by single-crystal X-ray diffraction at 90 K on ErSc2N@C80·CoII(OEP)·1.5C6H6·0.3CHCl3, which was obtained by diffusion of a solution of ErSc2N@C80 in benzene into a solution of CoII(OEP) (OEP is the dianion of octaethylporphyrin) in chloroform. The structure of ErSc2N@C80 consists of a planar ErSc2N unit surrounded by an icosahedral C80 cage. The nominal Er−N

  ErnSc3-nN@C80 (n = 0−3) 四种内嵌富勒烯家族是通过在 Kratschmer-Huffman 富勒烯发生器中在动态流动下蒸发填充有 2% Sc2O3/3% Er2O3/95% 石墨粉的石墨棒制备的氦气和二氮。ErSc2N@C80 已通过三个阶段的高压液相色谱以纯形式分离出来，并通过质谱进行表征。通过在 ErSc2N@C80·CoII(OEP)·1.5C6H6·0.3CHCl3 上在 90 K 的单晶 X 射线衍射确定了混合金属内嵌体 ErSc2N@C80 的第一个结构，它是通过扩散ErSc2N@C80 在苯中的溶液转化为 CoII(OEP)（OEP 是八乙基卟啉的二价阴离子）在氯仿中的溶液。ErSc2N@C80 的结构由被二十面体 C80 笼包围的平面 ErSc2N 单元组成。标称 Er-N 距离为 2。
• Production of fullerenes and single-wall carbon nanotubes by high-temperature pulsed arc discharge
  作者：Toshiki Sugai、Hideki Omote、Shunji Bandow、Nobuo Tanaka、Hisanori Shinohara

  DOI：10.1063/1.481172

  日期：2000.4

  of production of bundles of SWNTs in soot. The pulse arc production of fullerenes and SWNTs favors the high-temperature (⩾1000 °C), long pulses (⩾1 ms) and a heavy rare gas such as Ar or Kr as a buffer gas. We have found that fullerenes and SWNTs have complementary relationships in their early stage of production. The details of the pulsed arc discharge have been obtained by observing the transition

  富勒烯和单壁碳纳米管（SWNTs）首次由本实验室开发的高温脉冲电弧放电技术生产。富勒烯通过高效液相色谱法 (HPLC) 定量鉴定，扫描电子显微镜 (SEM) 和透射电子显微镜 (TEM) 观察显示烟灰中产生了大量的 SWNT 束。富勒烯和 SWNT 的脉冲电弧生产有利于高温（1000°C）、长脉冲（1 ms）和重稀有气体如 Ar 或 Kr 作为缓冲气体。我们发现富勒烯和 SWNT 在其生产的早期阶段具有互补关系。
• Incarceration of Higher-Order Fullerenes within Cyclotriveratrylene-Based Hemicarcerands Allows Selective Isolation of C₇₆ , C₇₈ , and C₈₄ from a Commercial Fullerene Mixture
  作者：Kuang-Shun Liu、Ming-Jhe Li、Chien-Chen Lai、Sheng-Hsien Chiu

  DOI：10.1002/chem.201603451

  日期：2016.11.21

  cyclotriveratrylene (CTV)‐based hosts can incarcerate C76, C78, and C84, thus allowing the selective isolation of these higher‐order fullerenes from a commercially available mixture of fullerenes. The hemicarceplexes, formed after the encapsulation of the size‐complementary fullerenes within the hosts, are isolated by column chromatography and released at elevated temperature, thereby leading to the isolation

  基于尺寸互补的环三碳杂戊二烯（CTV）的宿主可以嵌顿C 76，C 78和C 84，因此可以从市售的富勒烯混合物中选择性分离这些更高阶的富勒烯。将大小互补的富勒烯包封在主体中后形成的半链状复合物，通过柱色谱法分离并在高温下释放，从而以良好的纯度（高达95％和95％的纯度）分离出C 76 / C 78和C 84。分别为88％）。
• Crystallographic characterization and identification of a minor isomer of C84 fullerene
  作者：Lars Epple、Konstantin Amsharov、Kalin Simeonov、Ina Dix、Martin Jansen

  DOI：10.1039/b811872h

  日期：——

  We report the synthesis and single crystal X-ray analysis of C84 (14)·AgTPP (Ag tetraphenylporphyrin) cocrystal—the first ordered crystal structure containing a pristine higher fullerene.

  我们报道了 C84 (14)·AgTPP（Ag 四苯基卟啉）共晶的合成和单晶 X 射线分析，这是第一个含有原始高级富勒烯的有序晶体结构。