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Extension of deuterium NMR spectroscopy of paramagnetic solids for analysis of molecular structure

Research Project

Project/Area Number 17K05741
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical chemistry
Research InstitutionYamagata University

Principal Investigator

IIJIMA Takahiro  山形大学, 学士課程基盤教育機構, 准教授 (20402761)

Project Period (FY) 2017-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2019: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2017: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Keywords核磁気共鳴 / 固体 / 重水素 / 常磁性 / NMR
Outline of Final Research Achievements

Solid state NMR spectroscopy of deuterium nuclei is an indispensable tool for investigating static and dynamic molecular structures of solid materials. Most of deuterium NMR, however, has been applied for diamagnetic solids, because in paramagnetic solids the magnetization suffers from the paramagnetic interaction that affects the measurement and analysis of spectra.
In the present work, we developed two solid-state deuterium NMR methods for paramagnetic solids. One is a method for separating chemically different sites by utilizing molecular dynamics, and the other is a separation method of nuclear interactions in two-dimensional NMR. Using these methods, we can investigate static and dynamic local structures about deuterium nuclei with increased accuracy.

Academic Significance and Societal Importance of the Research Achievements

本研究では常磁性化合物に対する新規な固体重水素NMR法として化学サイト分離法と相互作用分離法を開発した.測定及び解析の困難さから常磁性固体の重水素NMRによる研究例はこれまで少なかった.本研究で開発した手法は配位高分子や金属タンパク質等の興味ある系における静的・動的局所構造の解析に資する.

Report

(5 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (12 results)

All 2021 2019 2018 2017

All Journal Article (4 results) (of which Peer Reviewed: 4 results) Presentation (8 results) (of which Int'l Joint Research: 3 results,  Invited: 1 results)

  • [Journal Article] Separated quadrupole and shift interactions of 2H NMR spectra in paramagnetic solids by asymmetric pulse sequences2021

    • Author(s)
      Takahiro Iijima, Shinobu Ohki, MasatakaTansho
    • Journal Title

      Solid State Nuclear Magnetic Resonance

      Volume: 112 Pages: 101709-101709

    • DOI

      10.1016/j.ssnmr.2020.101709

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 47,49Ti solid-state NMR and DFT study of Ziegler-Natta catalyst: Adsorption of TiCl4 molecule onto the surface of MgCl22019

    • Author(s)
      T. Iijima, T. Shimizu, A. Goto, K. Deguchi, T. Nakai, R. Ohashi, M. Saito
    • Journal Title

      Journal of Physics and Chemistry of Solids

      Volume: 135 Pages: 109088-109088

    • DOI

      10.1016/j.jpcs.2019.109088

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Separation of 2H NMR spectra assisted by molecular dynamics in diamagnetic and paramagnetic solids2018

    • Author(s)
      Takahiro Iijima, Tadashi Shimizu
    • Journal Title

      Solid State Nuclear Magnetic Resonance

      Volume: 91 Pages: 1-8

    • DOI

      10.1016/j.ssnmr.2018.03.001

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Deuterium off-magic-angle spinning NMR spectroscopy for pure-quadrupole spectra of paramagnetic solids2017

    • Author(s)
      Takahiro Iijima, Tadashi Shimizu
    • Journal Title

      Solid State Nucl. Magn. Reson.

      Volume: 84 Pages: 234-241

    • DOI

      10.1016/j.ssnmr.2017.06.007

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Presentation] Separated quadrupole and shift interactions of 2H NMR spectra in paramagnetic solids2021

    • Author(s)
      Takahiro Iijima, Shinobu Ohki, MasatakaTansho
    • Organizer
      The joint ISMAR-APNMR-NMRSJ-SEST Conference
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Separation of 2H NMR solid-state NMR spectra assisted by molecular dynamics2019

    • Author(s)
      T. Iijima, S. Ohki, A. Goto, T. Shimizu
    • Organizer
      8th Asia-Pacific NMR Symposium
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] 47,49Ti solid state NMR and DFT study of Ziegler-Natta catalyst2019

    • Author(s)
      T. Iijima, T. Shimizu, A. Goto, K. Deguchi, T. Nakai, R. Ohashi, M. Saito
    • Organizer
      EUROISMAR 2019
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] CBT Assessment for General Education in Yamagata University: Annual Changes in Academic Ability of Chemistry2019

    • Author(s)
      Takahiro Iijima, Katsumi Senyo, Jun-ichiro Yasuda, Eriko Watanabe
    • Organizer
      日本化学会第100回春季年会
    • Related Report
      2019 Research-status Report
  • [Presentation] 分子運動を利用した固体2H NMRスペクトルの分離2018

    • Author(s)
      飯島隆広, 清水 禎
    • Organizer
      第57回NMR討論会
    • Related Report
      2018 Research-status Report
  • [Presentation] CBT Assessment for General Education in Yamagata University: Application to Chemistry2018

    • Author(s)
      Takahiro Iijima, Katsumi Senyo, Jun-ichiro Yasuda, Eriko Watanabe
    • Organizer
      日本化学会第99回春季年会
    • Related Report
      2018 Research-status Report
  • [Presentation] 固体11B, 23Na NMRによるポリ酸の分子及び電子スピンの構造解析2017

    • Author(s)
      飯島隆広
    • Organizer
      第61回固体NMR・材料フォーラム
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] Removal of Paramagnetic Effect on Spectra of Deuterium Solid-State NMR2017

    • Author(s)
      Takahiro Iijima, Tadashi Shimizu
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Research-status Report

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Published: 2017-04-28   Modified: 2022-01-27  

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