Ultra-low temperature ESR spectroscopy with circularly polarized microwave

• Project/Area Number: 15H03800
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Functional solid state chemistry
• Research Institution: Osaka City University
• Principal Investigator: Shiomi Daisuke 大阪市立大学, 大学院理学研究科, 准教授 (40260799)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Project Status: Completed (Fiscal Year 2017)
• Budget Amount: ¥15,340,000 (Direct Cost: ¥11,800,000、Indirect Cost: ¥3,540,000); Fiscal Year 2017: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000); Fiscal Year 2016: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000); Fiscal Year 2015: ¥7,540,000 (Direct Cost: ¥5,800,000、Indirect Cost: ¥1,740,000)
• Keywords: 円偏波 / 円偏光 / マイクロ波 / ESR / 電子スピン共鳴 / SQUID磁束計 / 磁化 / 磁化率 / キラリティ / キラル磁性体 / キラリティー / SQUID / ラジカル

Outline of Final Research Achievements

A novel ESR spectroscopy method and a measurement instrument have been developed for examining chiral magnetic systems. The measurement instrument system allows us to detect the static longitudinal magnetization on a conventional SQUID magnetometer to which a circularly polarized microwave is introduced with a waveguide. The waveguide suitable for the detection of macroscopic magnetization under the static magnetic field and the circularly polarized microwave field was designed on the basis of electromagnetic field simulations. With this system, ESR signals were observed under the irradiation of the circularly polarized microwave field using a standard sample of an achiral organic radical of nitronyl nitroxide. It was found from the analysis of the ESR signals that the irradiated microwave was contaminated with linearly polarized wave. Possible causes of contamination are ascribed to the reflection of the polarized microwave at the edge of the waveguide.

Research Products

• [Journal Article] Analyses of sizable ZFS and magnetic tensors of high spin metallocomplexes (2017)
  • Author(s): Takeshi Yamane, Kenji Sugisaki, Tomoki Nakagawa, Hideto Matsuoka, Takahisa Nishio, Shigemori Kinjyo, Nobuyuki Mori, Satoshi Yokoyama, Chika Kawashima, Naoki Yokokura, Kazunobu Sato, Yuki Kanzaki, Daisuke Shiomi, Kazuo Toyota, David H. Dolphin, Wei-Ching Lin, Charles A. McDowell, Makoto Tadokoroc, Takeji Takui
  • Journal Title: Phys Chem Chem Phys Volume: 19 Issue: 36 Pages: 24769-24791
  • DOI: 10.1039/c7cp03850j
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Behaviour of DFT-Based Approaches to the Spin-Orbit Term of Zero-Field Splitting Tensors: A Case Study of Metallocomplexes, MIII(acac)3 (M = V, Cr, Mn, Fe and Mo) (2017)
  • Author(s): K. Sugisaki, K. Toyota, K. Sato, D. Shiomi, T. Takui
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 19 Issue: 44 Pages: 30128-30138
  • DOI: 10.1039/c7cp05533a
  • Peer Reviewed
• [Journal Article] Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wavefunctions of Open Shell Molecules (2016)
  • Author(s): K. Sugisaki, S. Yamamoto, S. Nakazawa, K. Toyota, K. Sato, D. Shiomi, T. Takui
  • Journal Title: Journal of Physical Chemistry A Volume: 120 Issue: 32 Pages: 6459-6466
  • DOI: 10.1021/acs.jpca.6b04932
  • Peer Reviewed
• [Journal Article] Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin-Orbit Term of Zero-Field Splitting Tensors (2016)
  • Author(s): K. Sugisaki, K. Toyota, K. Sato, D. Shiomi, and T. Takui
  • Journal Title: Journal of Physical Chemistry A Volume: 120 Issue: 49 Pages: 9857-9866
  • DOI: 10.1021/acs.jpca.6b10253
  • Peer Reviewed
• [Journal Article] Adiabatic quantum computing with spin qubits hosted by molecules (2015)
  • Author(s): Yamamoto, S; Nakazawa, S; Sugisaki, K; Sato, K; Toyota, K; Shiomi, D; Takui, T
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 17 Issue: 4 Pages: 2742-2749
  • DOI: 10.1039/c4cp04744c
  • Peer Reviewed
• [Presentation] 大きなゼロ磁場分裂定数を持つ高スピン金属錯体のESRスペクトルにおける一般的な解析式とレニウム錯体への適用 (2018)
  • Author(s): 山根健史・杉崎研司・佐藤和信・神崎祐貴・豊田和男・塩見大輔・田所誠・工位武治
  • Organizer: 日本化学会第98春季年会
• [Presentation] 量子コンピュータによる開殻分子のFull-CI 計算に向けて：多項式時間で配置状態関数を生成する量子アルゴリズムの開発 (2017)
  • Author(s): 杉崎研司・山本悟・中澤重顕・豊田和男・佐藤和信・塩見大輔・工位武治
  • Organizer: 日本化学会第96春季年会
  • Place of Presentation: 慶應義塾大学（神奈川・横浜）
  • Year and Date: 2017-03-16
• [Presentation] 分子主軸座標系における単結晶ESR 法を用いた大きなゼロ磁場分裂定数を持つ高スピンレニウム(III,IV)二核錯体の磁気的性質 (2017)
  • Author(s): 山根健史・中川朋樹・佐藤和信・杉崎研司・神崎祐貴・豊田和男・塩見大輔・吉澤真・田所誠・工位武治
  • Organizer: 日本化学会第96春季年会
  • Place of Presentation: 慶應義塾大学（神奈川・横浜）
  • Year and Date: 2017-03-16
• [Presentation] 量子コンピュータによる開殻分子の量子化学計算に向けて：新たな配置状態関数生成法 (2017)
  • Author(s): 杉崎研司,山本悟,中澤重顕,豊田和男,佐藤和信,塩見大輔,工位武治
  • Organizer: 第56回電子スピンサイエンス学会年会
• [Presentation] ESR/ENDOR法を用いたホスホニウム基を有する安定なナフタレンジイミドラジカルイオンの電子状態の研究 (2017)
  • Author(s): 崎山弾,巽俊輔,杉崎研司,佐藤和信,豊田和男,塩見大輔,Sharvan Kumar,Sudhir Kumar Keshri,Yogendra Kumar,Pritam Mukhopadhyay,工位武治
  • Organizer: 第56回電子スピンサイエンス学会年会
• [Presentation] Analysis of Sizable ZFS and Magnetic Tensors of a High Spin Pseudo-Octahedral ReIII,IV Dinuclear Complex: Exact Analytical and Zeeman Perturbation Treatments and Quantum Chemical Calculations (2017)
  • Author(s): Takeshi Yamane, Kenji Sugisaki, Tomoki Nakagawa, Kazunobu Sato, Yuki Kanzaki, Daisuke Shiomi, Kazuo Toyota, Makoto Yoshizawa, Makoto Tadokoro, Takeji Takui
  • Organizer: The 5th Awaji International Workshop on Electron Spin Science & Technology: Biological and Materials Science Oriented Applications (AWEST2017)
  • Int'l Joint Research
• [Presentation] Revisit to the ESR analyses of high-spin manganese, iron and cobalt complexes with sizable ZFS parameters, as studied by full spin Hamiltonian approaches and quantum chemical calculations (2017)
  • Author(s): T. Yamane, K. Sugisaki, K. Sato, K. Toyota, D. Shiomi, T. Takui
  • Organizer: The 11th Japanese-Russian Workshop on Open Shell Compounds and Molecular Spin Devices
  • Int'l Joint Research
• [Presentation] 主軸座標系における単結晶ESRスペクトル、SQUID測定および量子化学計算を用いた高スピンレニウム錯体の電子状態の解明 (2016)
  • Author(s): 山根健史, 中川朋樹, 佐藤和信, 杉崎研司, 神崎祐貴, 豊田和男,塩見大輔, 吉澤真, 田所誠, 工位武治
  • Organizer: 第55回電子スピンサイエンス学会年会
  • Place of Presentation: 大阪市立大学（大阪・大阪）
  • Year and Date: 2016-11-10
• [Presentation] 量子コンピュータによる量子化学計算：多電子スピン系の波動関数を生成する多項式時間量子アルゴリズム (2016)
  • Author(s): 杉崎研司, 山本悟, 中澤重顕, 豊田和男, 佐藤和信, 塩見大輔, 工位武治
  • Organizer: 第55回電子スピンサイエンス学会年会
  • Place of Presentation: 大阪市立大学（大阪・大阪）
  • Year and Date: 2016-11-10
• [Presentation] Electronic Structures and Proton-Electron Synchronized Dynamics of Rhenium(III,IV) Binuclear Complexes as Studied by Single-Crystal ESR Spectroscopy, SQUID Measurements and Quantum Chemical Calculations (2016)
  • Author(s): T. Yamane, T. Nakagawa, K. Sato, K. Sugisaki, Y. Kanzaki, K. Toyota, D. Shiomi, M. Yoshizawa, M. Tadokoro, and T. Takui
  • Organizer: The 10th Russian-Japanese Workshop on Open Shell Compounds and Molecular Spin Devices
  • Place of Presentation: Novosibirsk (Russia)
  • Year and Date: 2016-09-19
  • Int'l Joint Research
• [Presentation] Electronic Structures and Proton-Electron Synchronized Dynamics of Re(III,IV) Binuclear and Re(IV) Mononuclear Complexes as Studied by Single-Crystal ESR, Magnetic Susceptibility and Quantum Chemical Calculations (2016)
  • Author(s): T. Yamane, T. Nakagawa, K. Sato, K. Sugisaki, Y. Kanzaki, K. Toyota, D. Shiomi, M. Yoshizawa, M. Tadokoro and T. Takui
  • Organizer: The 4th Awaji International Workshop on Electron Spin Science & Technology: Biological and Materials Science Oriented Applications (AWEST 2016)
  • Place of Presentation: 淡路夢舞台国際会議場（兵庫・淡路）
  • Year and Date: 2016-06-19
  • Int'l Joint Research
• [Presentation] 分子主軸座標系における単結晶ESR法を用いた大きなゼロ磁場分裂定数を持つレニウム(III,IV)二核錯体の磁気的性質の解明 (2016)
  • Author(s): 山根健史・中川朋樹・佐藤和信・杉崎研司・神崎祐貴・豊田和男・塩見大輔・吉澤真・田所誠・工位武治
  • Organizer: 日本化学会第96春季年会
  • Place of Presentation: 同志社大学（京都・京田辺）
  • Year and Date: 2016-03-24
• [Presentation] プロトン-電子同期移動を示すレニウム(III/IV)二核錯体およびレニウム(IV)単核錯体の単結晶ESRによる研究 (2016)
  • Author(s): 中川朋樹・山根健史・佐藤和信・杉崎研司・神崎祐貴・豊田和男・塩見大輔・吉澤真・田所誠・工位武治
  • Organizer: 日本化学会第96春季年会
  • Place of Presentation: 同志社大学（京都・京田辺）
  • Year and Date: 2016-03-24
• [Presentation] Electronic structures of rhenium (III,IV) binuclear complexes with large ZFSs as studied by single-crystal ESR spectroscopy in the principal axis system and quantum chemical calculations (2015)
  • Author(s): T. Yamane, T. Nakagawa, S. Tatsumi, K. Sato, K. Sugisaki, Y. Kanzaki, K. Toyota, D. Shiomi, M. Yoshizawa, M. Tadokoro, and T. Takui
  • Organizer: The 9th Japanese-Russian Workshop on Open Shell Compounds and Molecular Spin Devices
  • Place of Presentation: 淡路夢舞台国際会議場（兵庫・淡路）
  • Year and Date: 2015-11-08
  • Int'l Joint Research
• [Presentation] Synchronized proton-electron transfer systems in rhenium complexes with mixed-valence states as studied by single-crystal ESR spectroscopy (2015)
  • Author(s): T. Nakagawa, T. Yamane, K. Sato, K. Sugisaki, Y. Kanzaki, K. Toyota, D. Shiomi, M. Yoshizawa, M. Tadokoro and T. Takui
  • Organizer: The 9th Japanese-Russian Workshop on Open Shell Compounds and Molecular Spin Devices
  • Place of Presentation: 淡路夢舞台国際会議場（兵庫・淡路）
  • Year and Date: 2015-11-08
  • Int'l Joint Research
• [Presentation] 大きなゼロ磁場分裂定数をもつ混合原子価レニウム(III,IV)２核錯体の分子主軸座標系における単結晶ESR研究 (2015)
  • Author(s): 山根健史・中川朋樹・巽俊輔・佐藤和信・杉崎研司・神崎祐貴・豊田和男・塩見大輔・吉澤真・田所誠・工位武治
  • Organizer: 第54回電子スピンサイエンス学会年会
  • Place of Presentation: 朱鷺メッセ（新潟・新潟）
  • Year and Date: 2015-11-02
• [Presentation] レニウム(IV)単核および混合原子価レニウム(III,IV)二核錯体の単結晶ESRスペクトルと電子状態：プロトンー電子同期連動系 (2015)
  • Author(s): 中川朋樹,山根健史,佐藤和信,杉崎研司,神崎祐貴,豊田和男,塩見大輔,吉澤真,田所誠,工位武治
  • Organizer: 第9回分子科学討論会
  • Place of Presentation: 東京工業大学（東京・目黒）
  • Year and Date: 2015-09-16
• [Presentation] 大きなゼロ磁場分裂定数をもつ混合原子価レニウム（III,IV）ニ核錯体の単結晶ESRスペクトルと電子構造：分子主軸座標系における単結晶ESR解析と量子化学計算 (2015)
  • Author(s): 山根健史,中川朋樹,巽俊輔,佐藤和信,杉崎研司,神崎祐貴,豊田和男,塩見大輔,吉澤真,田所誠,工位武治
  • Organizer: 第9回分子科学討論会
  • Place of Presentation: 東京工業大学（東京・目黒）
  • Year and Date: 2015-09-16
• [Presentation] A Single-Crystal ESR Study of Electronic Structure and Proton Dynamics of Binuclear Rhenium Complexes with Hydrogen bonded biimidazolate Ligands in a Mixed-Valence State (2015)
  • Author(s): T. Yamane, K. Sato, S. Tatsumi, K. Sugisaki, Y. Kanzaki, K. Toyota, D. Shiomi, M. Yoshizawa, M. Tadokoro and T. Takui
  • Organizer: The 3rd Awaji International Workshop on Electron Spin Science & Technology
  • Place of Presentation: 淡路夢舞台国際会議場（兵庫・淡路）
  • Year and Date: 2015-06-14
  • Int'l Joint Research