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Formation mechanism of fullerenes

Research Project

Project/Area Number 11165222
Research Category

Grant-in-Aid for Scientific Research on Priority Areas (A)

Allocation TypeSingle-year Grants
Research InstitutionToyohashi University of Technology

Principal Investigator

OSAWA Eiji  Faculty of Engineering, Professor, 工学部, 教授 (40001763)

Co-Investigator(Kenkyū-buntansha) OZAWA Masaki  Div. Eng., Graduate School, Toyohashi University of Technology, Assistant, 大学院・工学研究科, 助手 (30293757)
KURITA Nobuyuki  Faculty af Engineering, Toyohashi University of Technology, Assistant, 工学部, 助手 (40283501)
GOTO Hitoshi  Div. Eng., Graduate School, Toyohashi University of Technology, Associate Professor, 大学院・工学研究科, 助教授 (60282042)
Project Period (FY) 1999 – 2000
Project Status Completed (Fiscal Year 2001)
Budget Amount *help
¥18,800,000 (Direct Cost: ¥18,800,000)
Fiscal Year 2000: ¥4,000,000 (Direct Cost: ¥4,000,000)
Fiscal Year 1999: ¥14,800,000 (Direct Cost: ¥14,800,000)
KeywordsMechanism of fullerene formation / Natural fullerenes / Coal / Carbon black / C60 / TEM / Shock wave / peaceful use of explosives / C_<60>生成機構 / 3次元螺旋ナノ粒子 / 多層フラーレン / 煤 / 電子線照射 / 生成自由エネルギー / 天然カーボンナノチューブ / 天然カーボンナノ粒子 / HPLC
Research Abstract

Mechanism of fullerene formation is one of the most difficult problems in fullerene science but has been urgently needed in order to develop industrially favorable synthesis of C60, which is actually a critical obstacle to the emergence of applications of fullerene carbons. During the tenure of this grant, we clarified the mechanism and proposed two entirely new and promising methods of the preparation of C60.
Our work is motivated by a novel coal sample arrived from Yunnan Province, China, that contains surprisingly high concentration of C60/C70 (an initial concentration immediately after excavation estimated to be 0.3%). We found three pieces of evidence that indicate that this particular coal has been exposed to shock wave. The strongest evidence is high abundance of the primary particles of soot with extremely small diameter (ca 10 nm in diameters). Noting the fact that the purest and the most readily available soot is commercial carbon black, we thereupon used carbon black in our s … More ubsequent study. Whereas carbon black did not contain measurable amounts of C60, we observed that the primary particles of carbon blacks are cleanly converted to onion-like multi-shell fullerenes upon irradiation with focused electron beam (a substitute of shock wave). Careful examination of this transformation in TEM revealed intervention of spiral particles as the intermediate. Furthermore, we also found that onion changes into spirals. We assumed that the spiral TEM images represent 3D spiroidal particles close in shape with onions. Chemical as well as numerical models were conceived and generated. These works eventually led us to construct a consistent mechanism of fullerene formation consisting of spiral growth of spiroids and the stabilization of spiroid particles into onions by reversible multiple bond cleavage/intershell valence isomerization reactions/multiple bond closure. Success of this mechanism to elucidate the origin of unique configuration of onions encouraged us to conceive a new method of C60 production that uses the production line of carbon black.
Another new method of C60 production is simply to expose carbon to shock heating. If shock wave is generated by detonation of explosives and coal is carbon materials, the production of C60 may be carried out on the coal mine site. The method is cost effective, contributes to environmental problem by reducing the CO2 emission by burning coal as the fuel, and also promotes the use of explosives for peaceful purposes. There are already some examples previously reported in the literature that indicates that somewhat shock wave will generate fullerenes in stead of diamond under some conditions. For example, in a shock tube experiment, 300 ppm of C60 was formed when benzene was subjected to detonative shock. A few careful preliminary experiments will be needed to verify the present proposal. Less

Report

(3 results)
  • 2001 Final Research Report Summary
  • 2000 Annual Research Report
  • 1999 Annual Research Report
  • Research Products

    (49 results)

All Other

All Publications (49 results)

  • [Publications] Braun, T., Osawa, E., Detre, C., Toth, I.: "On Some Analytical Aspects of the Determination of Fullerenes in Samples from the Permian/Triassic Boundary Layers"Chem.Phys.Lett.. (印刷中).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Lee, K.H., Park, S.S., Suh, Y.S., Yamabe, T., Osawa, E., Luethi: "Similarity and Difference of of(C_<60>)_2^<2-> of(C_<59>N)_2 Conformers"J.Am.Chem.Soc.. (印刷中).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Zhao, X., Lee, S.-L., Osawa, E.: "Computations on the IPR Isomers of C_<88> and C_<90>"Scripta Mater.. 43. 733-741 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Uhlik, F., Francois, J.-P., Osawa, E.: "Thermodynamic Data Bases and Optical Isomerism"Croat.Chem.Acta. 73. 1047-1055 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Zhao, X., Deota, P., Osawa, E.: "Relative Stabilities of the C_<92> IPR Isomers"J.Mol.Model.. 6. 312-317 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Zhao, X., Slanina, Z., Ozawa, M., Osawa, E., Deota, P., Tanabe, K.: "C_<32>:Computations of the Low-Energy Cages with Four-Membered Rings"Fullerene Sci.Technol.. 8・6. 595-613 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Osawa, E.ほか: "Computations of Metal-covered C60 and C70"Comput.Mater.Sci.. 18. 308-314 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Uhlik, F., Osawa, E.: "Enthalpy-Entropy Interplay for C36 Cages"J.Chem.Phys.. 113/2. 4933-4937 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Uhlik, F., Slanina, Z., Osawa, E.: "Thermodynamic Properties of He@C60"Fullerene Sci.Technol.. 8/4+5. 453-460 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Osawa, E.: "Fullerenes in Solid Bitumens from Pillow Lavas of Pre-Cambrian Age"Fullerene Sci.Technol.. 8/4+5. 449-452 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Osawa, E.ほか: "C_<60>(NO_2)_2:Quantum-Chemical Evaluations"Fullerene Sci.Technol.. 8/4+5. 351-367 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Uhlik, F., Osawa, E.: "Computations of Low-Energy Non-Icosahedral Structures of C_<60>^<6->"Fullerene Sci.Technol.. 8/4+5. 403-415 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Osawa, E.(Ed.): "Perspectives of Fullerene Nanotechnology"Kluwer Academic Publishers. 367 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] 大澤映二, 江口昇次, 宮田直樹(編集): "炭素第三の同素体フラーレンの科学(季刊化学総説44)"学会出版センター. 258 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z., Zhao, X., Osawa, E.: "Calculations of Higher Fullerenes and Quasi-Fullerenes"Wiley-Interscience. 450 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Braun, T.; Osawa, E. et al.: "On Some Analytical Aspects of the Determination of Fullerenes in Samples from the Permian/ Triassic Boundary Layers"Chem. Phys. Lett.. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Lee, K. H.; Osawa, E. et al.: "Similarity and Difference of (C_<60>)^<2-> and (C_<59>N)_2 Conformers"J. Am. Chem. Soc.. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Osawa, E. et al.: "Computations on the IPR Isomers of C_<88> and C_<90>"Scripta Mater.. 43. 733-741 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Osawa, E. et al.: "Relative Stabilities of C_<82> IPR Isomers"J. Mol. Model. 6. 312-317 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Zhao, X.; Slanina, E.; Osawa, E. et al.: "C_<32> : Computations of the Low-Energy Cages with Four-Membered rings"Fullerene Sci. Technol.. 8. 595-613 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Osawa, E. et al.: "Computations of Metal-covered C_<60> and C_<70>"Comput. Mat. Sci.. 18. 308-314 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Uhlik, F.; Osawa, E.: "Enthalpy-Entropy Interplay for C_<36> Cages"J. Chem. Phys.. 113. 4933-4937 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Uhlik, F.; Slanina, Z.; Osawa, E.: "Thermodynamic Properties of He@C_<60>"Fuller. Sci. Technol.. 8. 453-460 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Osawa, E.: "Fullerenes in Solid Bitumens from Pillow Lavas of Pre-Cambrian Age"Fullerene Sci. Technol.. 8. 449-452 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Osawa, E. et al.: "C_<60>(NO_2)_2 : Quantum-Chemical Evaluations of Structure, Energy and Vibrational Frequencies"Fullerene. Sci. Technol.. 8. 351-367 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Uhlik, F.; Osawa, E.: "Computations of Low-Energy Non-Icosahedral Structures of C_<60>^<6->"Fullerene Sci. Technol.. 8. 403-415 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Zhao, X.; Osawa, E.; Adamowicz, L.: "Cyclic and Linear Structures of C_<13> : A Computational Study"Fullerene. Sci. Technol.. 8. 369-383 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Uhlik, F.; Yoshida, M.; Osawa, E.: "A Computational Treatment of 35 IPR Isomers of C_<88>"Fullerene Sci. Technol.. 8. 417-432 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Zhao, X.; Osawa, E.: "B3LYP/6-31G*//SAM1 Calculations of C_<36> Fullerene and Quasi-Fullerene Cages"Fullerene Sci. Technol.. 8. 433-447 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Miyajima, C.; Zhao, X.; Uhlik, F.; Adamowicz, L; Osawa, E.: "Metal-Coated Fullerenes C_<60>M_n : Calculations for M=Be, Mg, Al and n=12,20,32"Fullerene Sci. Technol.. 8. 385-402 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Lee, K. H.; Eun, H. M.; Park, S. S.; Suh, Y. S.; Osawa, E.: "Structures and Energetics of Regioisomers of C_<60> Dimer and Trimers"J. Phys. Chem.. 104. 7038-7042 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Slanina, Z.; Zhao, X.; Uhlik, F.; Ozawa, M.; Osawa, E.: "Computational Modeling of the Elemental Catalysis in the Stone-Wales Fullerene Rearrangements"J. Organometal. Chem.. 599. 57-61 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Osawa, E. (Ed.).: "Perspectives of Fullerene Nanotechnology"Kluwer Academic Publ.. (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] Z.Slanina ほか3名: "Computations of IPR Isomers of C_<88> and C_<90>"Nanostruct.Mater.. (印刷中). (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] Z.Slanina ほか4名: "Computations of Metal-covered C_<60> and C_<70>"Comput.mater.Sci.. 18. 308-314 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] Z.Slanina ほか3名: "Enthalpy-Entropy Interplay for C_<36> Cages : 33LYP/6-31G^* Calculations"J.Chem.Phys.. 113.12. 4933-4937 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] F.Uhlik ほか2名: "Thermodynamic Properties of He@C_<60>"Fullerena Sci.Technol.. 8.445. 351-367 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] Z.Slanina ほか3名: "A Computational Treatment of 35 IPR Isomer of C_<88>"Fullerena Sci.Technol.. 8.445. 433-447 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] K.H.Lee ほか7名: "Structures and Energetics of Regioisomers of C_<60> Dimer and Trimers"J.Phys.Chem.. 104. 7038-7042 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] Z.Slanina ほか3名: "Fullerenas-Chemistry, Physics,and Technology"Wiley-Interscience. 283-330 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] 大澤映二: "カーボンナノチューブーナノデバイスへの挑戦"化学同人(京都). 47-50 (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] E. Osawa ほか: "Analysis of the Growth Mechanism of Carbon Nanotubes by C2 Insertion"Fullerene Sci. Technol.. 7・2. 293-262 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] M. Shibuya ほか: "Detection of Buckminsterfullerene in Usul Soot and Commercial Charcoals"Fullerene Sci. Technol.. 7・2. 181-193 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] T. Yu. Astakova ほか: "Numerical Generation of Nanotube Caps"Fullerene Sci. Technol.. 7・2. 223-237 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] M. Ozawa ほか: "Production of Fullerenes by Combustion"Fullerene Sci. Technol.. 7・3. 387-409 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] T. Yu. Astakovaほか: "Numerical Generation of Nanotube Caps II"Fullerene Sci. Technol.. 7・5. 769-779 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] E. Osawa: "Natural Fellerene"Fullerene Sci. Technol.. 7・4. 637-652 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] E. Osawa: "C_<60>-The Superme Cage"Carbocyclic and Heterocyclic Cage Compounds JAI Press. 320 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 大澤映二 ほか編: "炭素第3の同素体フラーレンの化学"季刊化学総説44,学会出版センター. 258 (1999)

    • Related Report
      1999 Annual Research Report

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Published: 1999-04-01   Modified: 2016-04-21  

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