Exploring Superoxide Chemistry in Clusters

• Project/Area Number: 22550006
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: The University of Tokyo
• Principal Investigator: NAGATA Takashi 東京大学, 大学院・総合文化研究科, 教授 (10164211)
• Co-Investigator(Renkei-kenkyūsha): INOKUCHI Yoshiya 広島大学, 大学院・理学研究科, 准教授 (30311187)
• Research Collaborator: NAKANISHI Ryuzo 東京大学, 大学院・総合文化研究科, 助教 (70447324)
• Project Period (FY): 2010 – 2012
• Project Status: Completed (Fiscal Year 2012)
• Budget Amount: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000); Fiscal Year 2012: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000); Fiscal Year 2011: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2010: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
• Keywords: クラスター / スーパーオキシド / ペルオキシ型負イオン--- / 気相クラスター / ペルオキシ型イオン / 光電子分光 / 量子化学計算 / クラスター反応 / ベルォキシ型イオン

Research Abstract

Reactions of superoxide radicals (O2) in gas-phase clusters were investigatedin terms of the solvent-mediated production of anions having a peroxy form, M-OO〓. We have experimentally demonstrated that the reactivity of O2〓 can be modified significantly by solvation; the yield for the M-OO〓 formation is drastically increased even by a single-molecule solvation. Exploiting the solvent-mediated scheme, we have study the atmospheric chemistry of SO2 and the conversion reaction of O2〓in biological systems.

Research Products

• [Journal Article] Micro-hydration Effects on the Intermediates of the (I〓+ CH3I) S2 Reaction, Angew. (2013)
  • Author(s): K. Doi, E. Togano, S. Xantheas, R. Nakanishi, T. Nagata, T. Ebata and Y. Inokuchi ,
  • Journal Title: Chem.,Int. Ed. Volume: 52 Pages: 1-5
  • Peer Reviewed
• [Journal Article] Microhydration Effects on the Intermediates of the SN2 Reaction of Iodide Anion with Methyl Iodide (2013)
  • Author(s): K. DOI:, E. Togano, S. S. Xantheas, R. Nakanishi, T. Nagata, T. Ebata, and Y. Inokuchi
  • Journal Title: Angew. Chem. Int. Volume: 52 Issue: 16 Pages: 4380-4383
  • DOI: 10.1002/anie.201207697
  • Peer Reviewed
• [Journal Article] Bottom-Up View of Water Network-Mediated CO2 Reduction Using Cryogenic Cluster Ion Spectroscopy andDirect Dynamics Simulations (2012)
  • Author(s): K. J. Breen, A. F. DeBlase, T. L. Guasco, V. K.Voora, K. D. Jordan, T. Nagata and M. A.Johnson
  • Journal Title: J. Phys. Chem.,A Volume: 116 Pages: 903-912
  • Peer Reviewed
• [Journal Article] Hydrogen-Bond Network Transformation in Water-Cluster Anions Induced by the Complex Formation with Benzene (2012)
  • Author(s): Ryuzo Nakanishi
  • Journal Title: Journal of Physical Chemistry Letters Volume: 2012 Issue: 23 Pages: 3571-3575
  • DOI: 10.1021/jz301599f
  • Peer Reviewed
• [Journal Article] Bottom-Up View of Water Network-Mediated CO_2 Reduction Using Cryogenic Cluster Ion Spectroscopy and Direct Dynamics Simulations (Invited Article, Feature Cover Article) (2012)
  • Author(s): Kristin J.Breen, et al.
  • Journal Title: Journal of Physical Chemistry Volume: A116 Issue: 3 Pages: 903-912
  • DOI: 10.1021/jp209493v
  • Peer Reviewed
• [Journal Article] Photoelectron Spectroscopy and Ab initio Calculations of Peroxy Form of SO4〓 Anion (2010)
  • Author(s): S. Zama, R. Nakanishi, M. Yamamoto and T. Nagata
  • Journal Title: J. Phys. Chem., A Volume: 114 Pages: 5640-5647
  • Peer Reviewed
• [Journal Article] Photoelectron spectroscopy and ab initio calculations of peroxy form of SO4^- anion. (2010)
  • Author(s): S.Zama
  • Journal Title: Journal of Physical Chemistry Volume: A114 Pages: 5640-5647
  • Peer Reviewed
• [Journal Article] Theoretical study on the excess electron binding mechanism in the [CH_3NO_2(H_2O)_6J(n=1-6)anion clusters. (2010)
  • Author(s): H.Motegi
  • Journal Title: Journal of Physical Chemistry Volume: A114 Pages: 8939-8947
  • Peer Reviewed
• [Presentation] Embryonic Complex Anions ofWater Cluster with Various Molecules (2013)
  • Author(s): T. Nagata
  • Organizer: Gordon Research Conference: Molecular & Ionic Clusters
  • Place of Presentation: Ventura, CA, USA.
  • Year and Date: 2013-01-31
• [Presentation] Hydrogen-Bond Assisted One-Electron Reduction in Water-Network Assemblies (2013)
  • Author(s): Ryuzo Nakanishi
  • Organizer: Gordon Research Conference: Gaseous Ions: Structures, Energetics & Reactions
  • Place of Presentation: Galveston, Texas （USA）
  • Invited
• [Presentation] 分子-水ネットワークからなる負イオン錯体の構造とクラスター内電子移動ダイナミクス (2012)
  • Author(s): 中西隆造他
  • Organizer: 第6回分子科学討論会
  • Place of Presentation: 東京
  • Year and Date: 2012-09-18
• [Presentation] Embryonic complex anions of water cluster with various molecules (2012)
  • Author(s): Takashi Nagata
  • Organizer: Gordon Research Conference, Molecular & Ionic Clusers
  • Place of Presentation: Ventura, CA USA(Invited talk)(招待講演)
  • Year and Date: 2012-01-31
• [Presentation] 分子－水ネットワークからなる負イオン錯体の構造とクラスター内電子移動ダイナミクス (2012)
  • Author(s): 永田 敬
  • Organizer: 第6回分子科学討論会
  • Place of Presentation: 東京大学（東京）
• [Presentation] SO2/O系におけるスーパーオキシド化学:Peroxy型S22O6〓造 (2010)
  • Author(s): 鈴木卓人他
  • Organizer: 第4回分子科学討論会
  • Place of Presentation: 大阪(優秀ポスター賞)の生成と構
  • Year and Date: 2010-09-15
• [Presentation] SO2/O2系におけるスーパーオキシド化学:Peroxy型S_2O_6-の生成と構造 (2010)
  • Author(s): 鈴木卓人
  • Organizer: 分子科学討論会2010
  • Place of Presentation: 大阪大学豊中キャンパス
  • Year and Date: 2010-09-15
• [Presentation] 光電子分光によるCS_3^-およびSCSS^_の同定 (2010)
  • Author(s): 加藤修吾
  • Organizer: 分子科学討論会2010
  • Place of Presentation: 大阪大学豊中キャンパス
  • Year and Date: 2010-09-14
• [Presentation] Dual Dipole-Bound Anion(H2O)n{e〓}M 〓Beyond Floppiness TowardFragility (2010)
  • Author(s): T. Nagata
  • Organizer: Cluster Symposium, 239th ACSNational Meeting
  • Place of Presentation: SanFrancisco, CA , USA.
  • Year and Date: 2010-03-22