Development of deuterium NMR spectroscopy of paramagnetic solids for simplification of spectral analysis

• Project/Area Number: 24750026
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Physical chemistry
• Research Institution: Yamagata University (2013-2015); Institute for Molecular Science (2012)
• Principal Investigator: Takahiro Iijima 山形大学, 基盤教育院, 准教授 (20402761)
• Project Period (FY): 2012-04-01 – 2016-03-31
• Project Status: Completed (Fiscal Year 2015)
• Budget Amount: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000); Fiscal Year 2014: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2013: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2012: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
• Keywords: 核磁気共鳴 / 固体 / 常磁性 / 重水素

Outline of Final Research Achievements

Deuterium solid state NMR spectroscopy is an indispensable tool for investigating not only the static molecular structure but also dynamics with a time scale from nanoseconds to seconds. For paramagnetic solids, however, the analysis of measured NMR spectra may be difficult or impossible owing to a paramagnetic shift interaction. In the present work, we developed novel deuterium NMR methods to remove the paramagnetic effect from the spectrum, which enables us to obtain information about molecular structure and motions easily.

Research Products

• [Journal Article] Molecular and electron-spin structures of a ring-shaped mixed-valence polyoxovanadate (IV, V) studied by 11B and 23Na solid-state NMR spectroscopy and DFT calculations (2016)
  • Author(s): Takahiro Iijima, Toshihiro Yamase, Katsuyuki Nishimura
  • Journal Title: Solid State Nuclear Magnetic Resonance Volume: 76-77 Pages: 15-23
  • DOI: 10.1016/j.ssnmr.2016.03.004
  • Peer Reviewed
• [Journal Article] 2H NMR pure-quadrupole spectra for paramagnetic solids (2015)
  • Author(s): Takahiro Iijima, Tadashi Shimizu, Katsuyuki Nishimura
  • Journal Title: J. Magn. Reson. Volume: 251 Pages: 57-64
  • DOI: 10.1016/j.jmr.2014.11.007
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Electron Localization of Polyoxomolybdates with ε-Keggin Structure Studied by Solid-State 95Mo NMR and DFT Calculation (2014)
  • Author(s): Takahiro Iijima, Toshihiro Yamase, Masataka Tansho, Tadashi Shimizu, Katsuyuki Nishimura
  • Journal Title: J. Phys. Chem. A Volume: 118 Issue: 13 Pages: 2431-2441
  • DOI: 10.1021/jp409969g
  • Peer Reviewed
• [Presentation] 常磁性固体の2H NMRを容易に解析するために (2016)
  • Author(s): 飯島隆広
  • Organizer: 第17回固体NMR技術交流会/ナノテク・プラットフォーム第2回地域セミナー
  • Place of Presentation: 日本電子株式会社東京事務所
  • Year and Date: 2016-03-16
  • Invited
• [Presentation] ポリ酸の固体NMR－分子及びd1電子の構造解析－ (2016)
  • Author(s): 飯島隆広
  • Organizer: 金沢大学特別講演会
  • Place of Presentation: 金沢大学理学部
  • Year and Date: 2016-01-14
  • Invited
• [Presentation] 2H NMR pure-quadrupole spectra of paramagnetic solids (2015)
  • Author(s): Takahiro Iijima, Tadashi Shimizu, Katsuyuki Nishimura
  • Organizer: 19th International Society of Magnetic Resonance Conference
  • Place of Presentation: Shanghi, China
  • Year and Date: 2015-08-16
  • Int'l Joint Research
• [Presentation] 固体NMR及び量子化学計算によるリング状ポリ酸の分子及び電子スピンの構造解析 (2015)
  • Author(s): 飯島隆広, 山瀬利博, 西村勝之
  • Organizer: 日本化学会第95春季年会
  • Place of Presentation: 日本大学
  • Year and Date: 2015-03-26 – 2015-03-29
• [Presentation] 固体95Mo NMRとDFT計算によるe-Kegginポリ酸の電子局在性の研究 (2014)
  • Author(s): 飯島隆広, 山瀬利博, 丹所正孝, 清水 禎, 西村勝之
  • Organizer: 日本化学会第94春季年会
  • Place of Presentation: 名古屋大学
• [Presentation] 常磁性ポリ酸の固体95Mo NMR (2012)
  • Author(s): 飯島隆広、山瀬利博、丹所正孝、清水 禎、西村勝之
  • Organizer: 第51回NMR討論会
  • Place of Presentation: ウインク愛知（愛知県）
• [Presentation] 常磁性固体の四極子核NMR
  • Author(s): 飯島隆広
  • Organizer: 高分子学会13-2NMR研究会
  • Place of Presentation: 東京海洋大学
  • Invited