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Infrared emission mechanism of fullerene C60 and its cosmic abundance

Research Project

Project/Area Number 20K05438
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 32010:Fundamental physical chemistry-related
Research InstitutionKindai University

Principal Investigator

Wakabayashi Tomonari  近畿大学, 理工学部, 教授 (30273428)

Co-Investigator(Kenkyū-buntansha) 畑中 美穂  慶應義塾大学, 理工学部(矢上), 准教授 (80616011)
兒玉 健  神奈川工科大学, 公私立大学の部局等, 教授 (20285092)
Project Period (FY) 2020-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2023: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2022: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2021: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2020: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Keywords赤外発光スペクトル / 振動スペクトル / 温度依存性 / 分子対称性 / ボルツマン分布 / 自然放出 / 発光スペクトル / Ih対称性 / フラーレン / ナノカーボン / 赤外発光 / 分子振動 / 振動励起シミュレーション / 宇宙存在度 / 振動分光 / ポリイン / C60 / 赤外 / 誘導放出
Outline of Research at the Start

宇宙空間のフラーレンC60は、惑星状星雲をはじめ赤色巨星周縁部や拡散星雲における化学組成と光化学を解明する際に見落とされていた点であり、予想される存在量の大きさからこれまでの常識を覆す発見につながる貴重な手がかりとなり得る。サッカーボール型の分子構造が900℃を超える高温にも耐え得るとされる巨大分子C60の化学的特性を考慮して赤外発光メカニズムを解明し、宇宙存在度の推定に決定的役割を果たす。

Outline of Final Research Achievements

In relation to estimation of the abundance of cosmic fullerene C60, laboratory measurements of infrared (IR) emission spectra of C60 thin films were conducted and theoretical analyses of temperature dependence of the IR emission band intensities were performed. Within the range between ambient temperatures and 90°C, temperature dependence of the four IR-active emission bands of C60 showed excellent agreement between experiments and theory. This work opened the way of experimental and theoretical studies on molecular IR emission and is expected to be applied to researches of cosmic abundance of molecules in space. The achievement of this study has been published in the APS journal of Phys. Rev. B, Vol. 109, 035409 (2024).

Academic Significance and Societal Importance of the Research Achievements

2010年に惑星状星雲の赤外発光スペクトルにおいて存在が明らかになったフラーレンC60だが、存在量については算定の根拠となる基礎的なデータが確立されていなかった。本研究では、実験室データを定量的に解析するための理論的枠組みを明確に示すことに成功した。これにより、なぜC60分子の赤外発光バンド強度が温度によってどのように変化するかをその理由とともに示すことができた。本研究が示す実験手法と解析方法はC60のみならず他の分子にも適用可能であることから、今後の発展が期待される。

Report

(5 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Research-status Report
  • 2021 Research-status Report
  • 2020 Research-status Report
  • Research Products

    (22 results)

All 2024 2023 2022 2021 2020

All Journal Article (8 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 8 results,  Open Access: 5 results) Presentation (14 results) (of which Int'l Joint Research: 5 results,  Invited: 1 results)

  • [Journal Article] Infrared emission spectra of fullerene C60 thin films2024

    • Author(s)
      Wakabayashi Tomonari、Suzuki Hal、Hatanaka Miho、Wakabayashi Hiroyuki、Kodama Takeshi
    • Journal Title

      Physical Review B

      Volume: 109 Issue: 3 Pages: 035409-035409

    • DOI

      10.1103/physrevb.109.035409

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Shear-DSC study on the crystal-isotropic phase transition of semidilute aqueous cetyltrimethylammonium bromide (CTAB) solutions2023

    • Author(s)
      Yamamoto Taro、Wakabayashi Tomonari、Kamiyama Tadashi、Suzuki Hal
    • Journal Title

      Thermochimica Acta

      Volume: 730 Pages: 179629-179629

    • DOI

      10.1016/j.tca.2023.179629

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Excited state calculations using variational quantum eigensolver with spin-restricted ans?tze and automatically-adjusted constraints2023

    • Author(s)
      Gocho Shigeki、Nakamura Hajime、Kanno Shu、Gao Qi、Kobayashi Takao、Inagaki Taichi、Hatanaka Miho
    • Journal Title

      npj Computational Materials

      Volume: 9 Issue: 1 Pages: 00965-00965

    • DOI

      10.1038/s41524-023-00965-1

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Spectroscopic study on polyynes and their composite materials2022

    • Author(s)
      若林知成
    • Journal Title

      TANSO

      Volume: 2022 Issue: 301 Pages: 18-29

    • DOI

      10.7209/tanso.2022.18

    • NAID

      130008149115

    • ISSN
      0371-5345, 1884-5495
    • Year and Date
      2022-01-31
    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] N@C60 formation by laser-induced breakdown in nitrogen gas flow2022

    • Author(s)
      Maejima M.、Shiromaru H.、Kikuchi K.、Kodama T.、Wakabayashi T.
    • Journal Title

      Carbon Trends

      Volume: 9 Pages: 100212-100212

    • DOI

      10.1016/j.cartre.2022.100212

    • Related Report
      2022 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Mass-Resolved Momentum Imaging of Three Dichloroethylene Isomers by Femtosecond Laser-Induced Coulomb Explosion2022

    • Author(s)
      Wada Yoriko、Akagi Hiroshi、Kumada Takayuki、Itakura Ryuji、Wakabayashi Tomonari
    • Journal Title

      Photochem

      Volume: 2 Issue: 3 Pages: 798-809

    • DOI

      10.3390/photochem2030051

    • Related Report
      2022 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Phosphorescence of hydrogen-capped linear polyyne molecules C8H2, C10H2 and C12H2 in solid hexane matrices at 20 K2022

    • Author(s)
      Tomonari Wakabayashi, Urszula Szczepaniak, Kaito Tanaka, Satomi Saito, Keisuke Fukumoto, Riku Ohnishi, Kazunori Ozaki, Taro Yamamoto, Hal Suzuki, Jean-Claude Guillemin, Haruo Shiromaru, Takeshi Kodama, Miho Hatanaka
    • Journal Title

      Photochem

      Volume: 2 Issue: 1 Pages: 181-201

    • DOI

      10.3390/photochem2010014

    • Related Report
      2022 Research-status Report 2021 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Phosphorescence excitation mapping and vibrational spectroscopy of HC9N and HC11N cyanopolyynes in organic solvents2020

    • Author(s)
      Szczepaniak Urszula、Ozaki Kazunori、Tanaka Kaito、Ohnishi Yuma、Wada Yoriko、Guillemin Jean-Claude、Cr?pin Claudine、Ko?os Robert、Morisawa Yusuke、Suzuki Hal、Wakabayashi Tomonari
    • Journal Title

      Journal of Molecular Structure

      Volume: 1214 Pages: 128201-128201

    • DOI

      10.1016/j.molstruc.2020.128201

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Laboratory studies on the infrared emission spectra of fullerene C60 thin films2023

    • Author(s)
      T. Wakabayashi, H. Suzuki, M. Hatanaka, T. Kodama
    • Organizer
      Workshop on Interstellar Matter 2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] IR emission from vibrationally excited states of icosahedral fullerene C602023

    • Author(s)
      Tomonari Wakabayashi, Koki Nakano, Miho Hatanaka, Takeshi Kodama
    • Organizer
      第65回 フラーレン・ナノチューブ・グラフェン総合シンポジウム
    • Related Report
      2023 Annual Research Report
  • [Presentation] Infrared emission spectra of fullerene C60 thin films2023

    • Author(s)
      T. Wakabayashi, K. Nakano, M. Hatanaka, T. Kodama
    • Organizer
      1st COST NanoSpace Joint Scientific Meeting, Jozef Stephan Institute, Ljubljana, Slovenia
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Infrared emission spectra of fullerene C60 thin films2023

    • Author(s)
      T. Wakabayashi, K. Nakano, M. Hatanaka, T. Kodama
    • Organizer
      The 1st COST NanoSpace Joint Scientific Meeting
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] ポリイン分子と炭素クラスターの光学遷移におけるフランクーコンドン解析2022

    • Author(s)
      大西 陸・福本圭祐・田中海斗・若林知成
    • Organizer
      ナノ学会第20回大会
    • Related Report
      2022 Research-status Report
  • [Presentation] Molecular IR emission of solid C60 and C70 fullerenes2022

    • Author(s)
      Tomonari Wakabayashi, Yutaka Mukai, Kazuki Wakebe, Miho Hatanaka, Takeshi Kodama
    • Organizer
      Chemistry and Physics at Low Temperatures 2022 (CPLT2022)
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Phosphorescence of hydrogen-capped polyynes in solid hexane matrices2022

    • Author(s)
      Tomonari Wakabayashi, Urszula Szczepaniak. Jean-Claude Guillemin, Miho Hatanaka
    • Organizer
      Chemistry and Physics at Low Temperatures 2022 (CPLT2022)
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] フラーレン薄膜の赤外発光スペクトル2022

    • Author(s)
      若林知成・中野皇希・分部一樹・畑中美穂・兒玉 健
    • Organizer
      第16回分子科学討論会
    • Related Report
      2022 Research-status Report
  • [Presentation] Molecular IR emission of C60 and C70 thin plates2021

    • Author(s)
      若林知成,分部一樹,畑中美穂,兒玉健
    • Organizer
      第61回フラーレン・ナノチューブ・グラフェン総合シンポジウム
    • Related Report
      2021 Research-status Report
  • [Presentation] Simulation and measurement of the infrared emission spectra of C602021

    • Author(s)
      若林知成、向井悠天、田中海斗、福本圭祐、畑中美穂、兒玉健
    • Organizer
      第60回フラーレン・ナノチューブ・グラフェン総合シンポジウム
    • Related Report
      2020 Research-status Report
  • [Presentation] Phosphorescence excitation mapping of polyyne molecules isolated in solid acetonitrile at 20 K2021

    • Author(s)
      若林知成、向井悠天、田中海斗、福本圭祐
    • Organizer
      第60回フラーレン・ナノチューブ・グラフェン総合シンポジウム
    • Related Report
      2020 Research-status Report
  • [Presentation] Molecular orbital calculations of small carbon molecules in the singlet and triplet states2021

    • Author(s)
      田中海斗、峯山葵、大西陸、福本圭祐、若林知成
    • Organizer
      第60回フラーレン・ナノチューブ・グラフェン総合シンポジウム
    • Related Report
      2020 Research-status Report
  • [Presentation] Infrared spectroscopy of C60 molecules: From the laboratory detection to cosmic abundances2020

    • Author(s)
      若林知成
    • Organizer
      第59回フラーレン・ナノチューブ・グラフェン総合シンポジウム
    • Related Report
      2020 Research-status Report
  • [Presentation] 発光材料の理論的設計:ランタノイド化合物を例に2020

    • Author(s)
      畑中美穂
    • Organizer
      ナノ学会合同部会シンポジウム
    • Related Report
      2020 Research-status Report
    • Invited

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Published: 2020-04-28   Modified: 2025-01-30  

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