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Gas recognition and observation of the structural change in adsorption process in porous coordination polymers

Research Project

Project/Area Number 20H02575
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 28030:Nanomaterials-related
Research InstitutionOsaka Metropolitan University (2022)
Osaka Prefecture University (2020-2021)

Principal Investigator

Kubota Yoshiki  大阪公立大学, 大学院理学研究科, 教授 (50254371)

Co-Investigator(Kenkyū-buntansha) 松田 亮太郎  名古屋大学, 工学研究科, 教授 (00402959)
河口 彰吾  公益財団法人高輝度光科学研究センター, 回折・散乱推進室, 主幹研究員 (10749972)
石橋 広記  大阪公立大学, 大学院理学研究科, 准教授 (70285310)
Project Period (FY) 2020-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥18,200,000 (Direct Cost: ¥14,000,000、Indirect Cost: ¥4,200,000)
Fiscal Year 2022: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2021: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2020: ¥10,790,000 (Direct Cost: ¥8,300,000、Indirect Cost: ¥2,490,000)
Keywords多孔性配位高分子 / MOF / ガス吸着 / 放射光粉末回折法 / 結晶PDF解析 / 放射光粉末回折
Outline of Research at the Start

多孔性配位高分子(PCP)は、その優れたガス吸着特性と高い設計性からこの20年ほど大変活発な研究が展開されている。Interdigitate型構造を持つPCPは吸着開始圧力の閾値(Gate-Open圧力)を持ち、それはガス分子の種類や骨格構造を構成する配位子により異なるが、Gate-Open圧力を決定する因子は未だ明らかにされていない。本研究では、高輝度放射光を用いた精密結晶構造解析とX線全散乱による結晶PDF解析を駆使して、PCPのガス吸着現象を平均構造と局所構造の両側面から捉え、吸着開始時から飽和吸着に至るまでの骨格構造の変化を明らかにすることを目的とする。

Outline of Final Research Achievements

In this study, structural changes of porous coordination polymers upon gas adsorption process were investigated by synchrotron powder diffraction. The acetylene adsorption structure of CID-35 with multi-step acetylene adsorption isotherms was determined. It was suggested that with increasing gas pressure, the flamework changes flexibly accompanied with increasing spacing between structural units, sliding structural units, and rotation of pillar molecules. The interaction between acetylene molecules also contributes to the creation of a stepwise stable state. Millisecond-order time-resolved powder diffraction experiments on the adsorption of CO2 on CPL-1 were performed, and the obtained time evolution of the adsorption phase was analyzed by a kinetic model, which revealed that there are two steps in the initial stage of CO2 adsorption. As described above, we could obtain the knowledge on the structural changes in the gas adsorption process of porous coordination polymers.

Academic Significance and Societal Importance of the Research Achievements

多孔性配位高分子は骨格構造を変形しながらガス分子を取り込む点が極めて重要な性質である。回折法によりガス吸着前後の静的な結晶構造は明らかにされてきたが、ガス吸着過程の動的な結晶構造はほとんど解明されていない。本課題で時間分解粉末回折法によりガス吸着相の時間発展と同時に結晶構造の変化を捉えることができたことは大きな進展である。本研究の結果は、多孔性配位高分子の機能を理解し、さらに応用に繋げる上で有用な情報となり得る。例えば、圧力スイング法によるガス分離では、骨格構造の変形やリガンドの変化がどのように起こっているかを知ることにより、より優れたガス分離能を持つ物質の設計・合成に繋がると期待される。

Report

(4 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • Research Products

    (18 results)

All 2023 2022 2021 2020

All Journal Article (8 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 8 results,  Open Access: 1 results) Presentation (10 results) (of which Int'l Joint Research: 5 results)

  • [Journal Article] Time-resolved in-situ X-ray diffraction and crystal structure analysis of porous coordination polymer CPL-1 in CO2 adsorption2023

    • Author(s)
      Ashitani Hirotaka、Kawaguchi Shogo、Furukawa Hiromichi、Ishibashi Hiroki、Otake Kenichi、Kitagawa Susumu、Kubota Yoshiki
    • Journal Title

      Journal of Solid State Chemistry

      Volume: 319 Pages: 123796-123796

    • DOI

      10.1016/j.jssc.2022.123796

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Upgrade and Achievements at the Powder Diffraction Beamline in SPring-82022

    • Author(s)
      KUBOTA Yoshiki、MORIYOSHI Chikako、NISHIBORI Eiji、KAWAGUCHI Shogo
    • Journal Title

      Nihon Kessho Gakkaishi

      Volume: 64 Issue: 1 Pages: 17-25

    • DOI

      10.5940/jcrsj.64.17

    • ISSN
      0369-4585, 1884-5576
    • Year and Date
      2022-02-28
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fine Pore‐Structure Engineering by Ligand Conformational Control of Naphthalene Diimide‐Based Semiconducting Porous Coordination Polymers for Efficient Chemiresistive Gas Sensing2022

    • Author(s)
      Xue Ziqian、Zheng Jia‐Jia、Nishiyama Yusuke、Yao Ming‐Shui、Aoyama Yoshitaka、Fan Zeyu、Wang Ping、Kajiwara Takashi、Kubota Yoshiki、Horike Satoshi、Otake Ken‐ichi、Kitagawa Susumu
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 62 Issue: 2

    • DOI

      10.1002/anie.202215234

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Phase diagram and crystal structure of Ti-doped HoMnO3 by high-resolution synchrotron powder diffraction2022

    • Author(s)
      Ishibashi Hiroki、Cubillas Fernando、Uchihashi Kento、Tsukasaki Hirofumi、Kawaguchi Shogo、Ina Toshiaki、Brown Francisco、Kimizuka Noboru、Mori Shigeo、Kubota Yoshiki
    • Journal Title

      Journal of Solid State Chemistry

      Volume: 312 Pages: 123273-123273

    • DOI

      10.1016/j.jssc.2022.123273

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Xylene Recognition in Flexible Porous Coordination Polymer by Guest-Dependent Structural Transition2021

    • Author(s)
      Wang Ping、Kajiwara Takashi、Otake Ken-ichi、Yao Ming-Shui、Ashitani Hirotaka、Kubota Yoshiki、Kitagawa Susumu
    • Journal Title

      ACS Applied Materials & Interfaces

      Volume: 13 Issue: 44 Pages: 52144-52151

    • DOI

      10.1021/acsami.1c10061

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A comparative study of honeycomb-like 2D π-conjugated metal?organic framework chemiresistors: conductivity and channels2021

    • Author(s)
      Yao Ming-Shui、Wang Ping、Gu Yi-Fan、Koganezawa Tomoyuki、Ashitani Hirotaka、Kubota Yoshiki、Wang Zao-Ming、Fan Ze-Yu、Otake Ken-ichi、Kitagawa Susumu
    • Journal Title

      Dalton Transactions

      Volume: 50 Issue: 38 Pages: 13236-13245

    • DOI

      10.1039/d1dt02323c

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fast continuous measurement of synchrotron powder diffraction synchronized with controlling gas and vapour pressures at beamline BL02B2 of?SPring-82020

    • Author(s)
      Kawaguchi Shogo、Takemoto Michitaka、Tanaka Hideki、Hiraide Shotaro、Sugimoto Kunihisa、Kubota Yoshiki
    • Journal Title

      Journal of Synchrotron Radiation

      Volume: 27 Issue: 3 Pages: 3692-3699

    • DOI

      10.1107/s1600577520001599

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Gas-Dependent Reversible Structural and Magnetic Transformation between Two Ladder Compounds2020

    • Author(s)
      Manabe Jun、Nishida Kazuki、Zhang Xiao、Nakano Yuki、Fujibayashi Masaru、Cosquer Goulven、Inoue Katsuya、Shimono Seiya、Ishibashi Hiroki、Kubota Yoshiki、Shiga Misaki、Tsunashima Ryo、Tatewaki Yoko、Nishihara Sadafumi
    • Journal Title

      Crystals

      Volume: 10 Issue: 9 Pages: 841-841

    • DOI

      10.3390/cryst10090841

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Presentation] Crystal structure analysis and gas adsorption measurement of CPLs2022

    • Author(s)
      M. Hirofuji, H. Ashitani, S. Kawaguchi, K. Otake, S. Kitagawa, H. Ishibashi, and Y. Kubota
    • Organizer
      The 17th Conference of the Asian Crystallographic Association (AsCA2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Analysis of phase change in porous coordination polymer CPL-1 using Bayesian estimation2022

    • Author(s)
      H. Furukawa, H. Ashitani, S. Kawaguchi, H. Ishibashi, Y. Yokoyama, M. Mizumaki, and Y. Kubota
    • Organizer
      The 17th Conference of the Asian Crystallographic Association (AsCA2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Dynamic structural measurement of CPL-1 during CO2 adsorption process2022

    • Author(s)
      H. Ashitani, S. Kawaguchi, H. Furukawa, K. Otake, S. Kitagawa, and Y. Kubota
    • Organizer
      The 17th Conference of the Asian Crystallographic Association (AsCA2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] CPL系多孔性配位高分子のガス吸着測定と結晶構造解析2022

    • Author(s)
      廣藤誠、芦谷拓嵩、河口彰吾、大竹研一、北川進、石橋広記、久保田佳基
    • Organizer
      日本結晶学会令和4年(2022年)度年会
    • Related Report
      2022 Annual Research Report
  • [Presentation] ベイズ推定を用いた多孔性配位高分子CPL-1のガス吸着過程の観測2022

    • Author(s)
      古川裕陸、芦谷拓嵩、河口彰吾、石橋広記、横山優一、水牧仁一郎、久保田佳基
    • Organizer
      日本結晶学会令和4年(2022年)度年会
    • Related Report
      2022 Annual Research Report
  • [Presentation] CPL-1のCO2吸着過程における動的構造計測とCO2吸着構造の解明2022

    • Author(s)
      芦谷拓嵩、古川裕陸、河口彰吾、石橋広記、大竹研一、北川進、久保田佳基
    • Organizer
      日本結晶学会令和4年(2022年)度年会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Kinetics in the gas adsorption process of porous coordination polymers by time-resolved X-ray powder diffraction measurement2021

    • Author(s)
      H. Ashitani, S. Kawaguchi, H. Ishibashi, K. Otake, S. Kitagawa, and Y. Kubota
    • Organizer
      XXV Congress of the International Union of Crystallography
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Development of high-speed capillary spinner cell for in-situ powder diffraction under gas pressure control2021

    • Author(s)
      S. Kawaguchi, M. Takemoto, K. Sugimoto, H. Ashitani, and Y. Kubota
    • Organizer
      XXV Congress of the International Union of Crystallography
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 多孔性配位高分子のガス吸着過程における格子変化と速度論2021

    • Author(s)
      芦谷拓嵩、河口彰吾、石橋広記、大竹研一、北川進、久保田佳基
    • Organizer
      日本結晶学会令和3年(2021年)度年会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 多孔性配位高分子CID-35の段階的なアセチレン吸着機構に関する構造研究2020

    • Author(s)
      渡部友瑛、芦谷拓嵩、河口彰吾、大竹研一、細野暢彦、北川進、石橋広記、久保田佳基
    • Organizer
      日本結晶学会令和2年(2020年)度年会
    • Related Report
      2020 Annual Research Report

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Published: 2020-04-28   Modified: 2024-01-30  

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