Hydrogen bond network of supercooled water and amorphous ice studied by the electronic structure

• Project/Area Number: 19750016
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Single-year Grants
• Research Field: Physical chemistry
• Research Institution: The University of Tokyo
• Principal Investigator: HARADA Yoshihisa The University of Tokyo, 大学院・工学系研究科, 特任准教授 (70333317)
• Project Period (FY): 2007 – 2009
• Project Status: Completed (Fiscal Year 2009)
• Budget Amount: ¥3,180,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥480,000); Fiscal Year 2009: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2008: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2007: ¥1,100,000 (Direct Cost: ¥1,100,000)
• Keywords: 化学物理 / 光物性 / 放射線,X線,粒子線 / 放射線、X線、粒子線

Research Abstract

Electronic structure of low temperature liquid water was measured by soft X-ray emission spectroscopy. A shoulder peak that corresponds to breaking of hydrogen bond appeared even in the ice phase, which is probably originated from core-induced dynamics. Electronic structure of low temperature acetonitrile-water mixture exhibited little change with increase of microheterogeneity at low temperature, which implies difference in the size of density fluctuation and measurement region of soft X-ray emission.

Research Products

• [Journal Article] 液体や溶液の価電子状態を元素選択的に観る:SPring-8軟X線ビームラインBL17SUにおける軟X線発光実験 (2009)
  • Author(s): 徳島高、原田慈久、辛埴
  • Journal Title: 日本物理学会誌(Butsuri) vol.63 Pages: 852-857
  • NAID: 110006990273
  • Peer Reviewed
• [Journal Article] The inhomogeneous structure of water at ambient conditions (2009)
  • Author(s): C. Huang, K.T. Wikfeldt, T. Tokushima, D. Nordlund, Y. Harada, U. Bergmann, M. Niebuhr, T.M. Weiss, Y. Horikawa, M. Leemaa, M.P. Ljungberg, O. Takahashi, A. Lenz, L. Ojamae, A.P. Lyubartsev, S. Shin, L.G.M. Pettersson, A. Nilsson
  • Journal Title: Proceedings of the National Academy of Sciences (PNAS) vol.106 Pages: 15214-15218
  • Peer Reviewed
• [Journal Article] The inhomogeneous structure of water at ambient conditions (2009)
  • Author(s): C.Huang, K.T.Wikfeldt, T.Tokushima, D.Nordlund, Y.Harada, U.Bergmann, M.Niebuhr, T.M.Weiss, Y.Horikawa, M.Leemaa, M.P.Ljungberg, O.Takahashi, A.Lenz, L.Ojamae, A.P.Lyubartsev, S.Shin, L.G.M.Pettersson, A.Nilsson
  • Journal Title: Proceedings of the National Academy of Sciences(PNAS) 106 Pages: 15214-15218
  • Peer Reviewed
• [Journal Article] High Resolution X-ray Emission Spectroscopy of Liquid Water: the Observation of Two Structural Motifs (2008)
  • Author(s): T. Tokushima, Y. Harada, O. Takahashi, Y. Senba, H. Ohashi, L.G.M. Pettersson, A. Nilsson, S. Shin
  • Journal Title: Chemical Physics Letters vol.460 Pages: 387-400
  • Peer Reviewed
• [Journal Article] Isotope and temperature effects in liquid water probed by x-ray absorption and resonant x-ray emission spectroscopy (2008)
  • Author(s): L.G.M. Pettersson, T. Tokushima, Y. Harada, O. Takahashi, S. Shin, A. Nilsson
  • Journal Title: Physical Review Letters vol.100 Pages: 249801-249801
  • Peer Reviewed
• [Journal Article] Anomalous electronic structure of ionic liquids determined by soft x-ray emission spectroscopy: Contributions from the cations and anions to the occupied electronic structure (2008)
  • Author(s): K. Kanai, T. Nishi, T. Iwatani, Y. Ouchi, K. Seki, Y. Harada, S. Shin
  • Journal Title: Journal of Physical Chemistry vol.129 Pages: 224507-224507
  • Peer Reviewed
• [Journal Article] High Resolution X-ray Emission Spectroscopy of Liquid Water : the Observation of Two Structural Motifs (2008)
  • Author(s): T. Tokushima, Y. Harada, O. Takahashi, Y. Senba, H. Ohashi, L.G.M. Pettersson. A. Nilsson. S.
  • Journal Title: Chemical Physics Letters (FRONTIERS article) 460 Pages: 387-400
  • Peer Reviewed
• [Journal Article] Comment on"Isotope and temperature effects in liquid water probed by x-ray absorption and resonant x-ray emission spectroscopy" (2008)
  • Author(s): L. GM. Yettersson, T. Tokushima, Y. Harada, O. Takahashi, S. Shin, A. Nilsson
  • Journal Title: Physical Review Letters 100 Pages: 249801-249801
  • Peer Reviewed
• [Journal Article] 液体や溶液の価電子状態を元素選択的に観る : SPrhlg-8軟X線ビームラインBL17SUにおける軟X線発光実験 (2008)
  • Author(s): 徳島高、原田慈久、辛埴
  • Journal Title: 日本物理学会誌(Butsuti) 63 Pages: 852-857
  • Peer Reviewed
• [Journal Article] Anomalous electrorstructure of ionic liquids determined by soft x-ray emission spectroscopy : Contributions from the cations and anions to the occupied electronic structure (2008)
  • Author(s): K. Kanai, T. Nishi, T. Iwatanie Y. Ouchi, K. Seki, Y. Harada, S. Shin
  • Journal Title: Journal of Physical Chemistry 129
  • Peer Reviewed
• [Journal Article] High Resolution X-ray Emission Spectroscopy of Liquid Water: the Observation of Two Structural Motifs (2008)
  • Author(s): T. Tokushima, Y. Harada, O. Takahashi, Y. Senba, H. Ohashi, L.G.M. Pettersson, A. Nilsson, S. Shin
  • Journal Title: Chemical Physics Letters (FRONTIERS article) accepted(掲載確定)
  • Peer Reviewed
• [Presentation] Picture of Water Challenged by Synchrotron X-ray Experiments (2009)
  • Author(s): Y. Harada(invited)
  • Organizer: WINPTech 2009
  • Place of Presentation: 神戸大学
  • Year and Date: 2009-12-02
• [Presentation] X-ray emission and neutron diffraction study of acetonitrile-water mixtures (2009)
  • Author(s): Y. Harada, H. Arai, K. Sadakane, Y. Horikawa, T. Tokushima, S. Senba, H. Ohashi, Y. Takata, S. Shin
  • Organizer: The 11th ISSP International Symposium on"Hydrogen and Water in Condensed Matter Physics"
  • Place of Presentation: 千葉生命の森リゾート
  • Year and Date: 2009-10-14
• [Presentation] X-ray emission and neutron diffraction study of acetonitrile-water mixtures (2009)
  • Author(s): Y.Harada, H.Arai, K.Sadakane, Y.Horikawa, T.Tokushima, S.Senba, H.Ohashi, Y.Takata, S.Shin
  • Organizer: The 11th ISSP International Symposium on "Hydrogen and Water in Condensed Matter Physics"
  • Place of Presentation: 千葉生命の森リゾート
  • Year and Date: 2009-10-14
• [Presentation] Ultra-high Resolution Soft X-Ray Emission Spectrometer for in-situ Experiments (2009)
  • Author(s): Y. Harada, M. Kobayashi, H. Niwa, M. Oshima, Y. Senba, H. Ohashi, T. Tokushima, Y. Horikawa, S. Shin
  • Organizer: ICESS-11
  • Place of Presentation: 奈良県新公会堂
  • Year and Date: 2009-10-07
• [Presentation] x線発光分光の新展開日本の現状と海外の動向 (2009)
  • Author(s): 原田慈久
  • Organizer: 日本物理学会2009年秋季大会
  • Place of Presentation: 熊本大学
  • Year and Date: 2009-09-25
• [Presentation] X線発光分光の新展開 日本の現状と海外の動向 (2009)
  • Author(s): 原田慈久
  • Organizer: 日本物理学会2009年秋季大会
  • Place of Presentation: 熊本大学
  • Year and Date: 2009-09-25
• [Presentation] SPring-8における溶液系の軟x線発光実験 (2009)
  • Author(s): 原田慈久、徳島高、堀川裕加、辛埴
  • Organizer: PF研究会
  • Place of Presentation: 茨城
  • Year and Date: 2009-01-13
• [Presentation] アセトニトリル水溶液中の水の構造変化 (2009)
  • Author(s): 新井秀実、原田慈久、徳島高、小林正起、堀川裕加、高田恭孝、辛埴
  • Organizer: 日本放射光学会年会・放射光科学合同シンポジウム
  • Place of Presentation: 東京
  • Year and Date: 2009-01-11
• [Presentation] SPring-8における溶液系の軟X線発光実験 (2009)
  • Author(s): 原田慈久、徳島高、堀川裕加、辛埴
  • Organizer: PF研究会
  • Place of Presentation: 茨城
  • Year and Date: 2009-01-03
• [Presentation] 軟X線発光分光を用いた液体の電子状態の研究 (2008)
  • Author(s): 徳島高、堀川裕加、新井秀実、原田慈久、高田恭孝、辛埴
  • Organizer: 第1回界面科学研究会
  • Place of Presentation: 岡山
  • Year and Date: 2008-12-19
• [Presentation] 水・水溶液の構造と電子状態:2状態モデルへの回帰 (2008)
  • Author(s): 原田慈久、徳島高、辛埴
  • Organizer: 第44回X線分析討論会
  • Place of Presentation: 東京
  • Year and Date: 2008-10-18
• [Presentation] 水・水溶液の構造と電子状態 : 2状態モデルへの回帰 (2008)
  • Author(s): 原田慈久、徳島高、辛埴
  • Organizer: 第44回X線分析討論会
  • Place of Presentation: 東京
  • Year and Date: 2008-10-18
• [Presentation] アセトニトリル水溶液中における水の構造変化 (2008)
  • Author(s): 新井秀実、原田慈久、徳島高、小林正起、堀川裕加、高田恭孝、辛埴
  • Organizer: 第2回分子科学討論会
  • Place of Presentation: 福岡
  • Year and Date: 2008-09-25
• [Presentation] アセトニトリル水溶液中における水の構造変化 (2008)
  • Author(s): 新井秀実、原田慈久、徳島高、小林正起、堀川裕加、高田恭孝、辛埴
  • Organizer: 第2回分子科学討論会2008福岡
  • Place of Presentation: 福岡
  • Year and Date: 2008-09-25
• [Presentation] Electronic Structure of Water in Acetonitrile-Water Mixtures (2008)
  • Author(s): Y. Harada, H. Arai, T. Tokushima, Y. Horikawa, S. Shin
  • Organizer: Gordon research conferences (water & aqueous solutions)
  • Place of Presentation: New Hampshire, USA
  • Year and Date: 2008-07-30
• [Presentation] 軟x線発光分光法による溶液の電子状態の解明と構造モデルの構築 (2008)
  • Author(s): 原田慈久, 徳島高, 堀川裕加, 高橋修, 新井秀実, 高田恭孝, 仙波泰徳, 大橋治彦, Michael Odelius, Lars Pettersson, Anders Nilsson, 尾嶋正治, 辛埴
  • Organizer: 電気化学会第75回大会
  • Place of Presentation: 山梨大学
  • Year and Date: 2008-03-31
• [Presentation] 軟X線発光分光法による溶液の電子状態の解明と構造モデルの構築 (2008)
  • Author(s): 原田慈久, 徳島高, 堀川裕加, 高橋修, 新井秀実, 高田恭孝, 仙波泰徳, 大橋治彦, Michael Odelius, Lars Pettersson, Anders Nilsson, 尾嶋正治, 辛埴
  • Organizer: 電気化学会第75回大会
  • Place of Presentation: 山梨大学
  • Year and Date: 2008-03-31
• [Presentation] アセトニトリル水溶液中の水の電子状態 (2008)
  • Author(s): 原田慈久、徳島高、堀川裕加、平谷篤也、尾嶋正治、辛埴
  • Organizer: 第21回日本放射光学会年会
  • Place of Presentation: 立命館大学びわこ草津キャンパス
  • Year and Date: 2008-01-13
• [Presentation] 軟X線発光分光法による溶液の電子状態の解明 (2007)
  • Author(s): 原田慈久、徳島高、堀川裕加、仙波泰徳、大橋治彦、M. Odelius, LGM. Pettersson、A. Nilsson、尾嶋正治、辛埴
  • Organizer: 第27回表面科学講演大会
  • Place of Presentation: 東京大学生産技術研究所
  • Year and Date: 2007-11-01