Structural study on excited state proton transfer reactions mechanism utilizing an intense mid-infrared laser

• Project/Area Number: 23550007
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Tokyo Institute of Technology
• Principal Investigator: MIYAZAKI Mitsuhiko 東京工業大学, 資源化学研究所, 助教 (00378598)
• Project Period (FY): 2011 – 2013
• Project Status: Completed (Fiscal Year 2013)
• Budget Amount: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000); Fiscal Year 2013: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000); Fiscal Year 2012: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000); Fiscal Year 2011: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
• Keywords: 中赤外レーザー / 励起状態プロトン移動反応 / 超音速ジェット / 溶媒和クラスター / 赤外分光

Research Abstract

This project studied mechanism of the excited state proton transfer reaction of 1-naphthol–ammonia clusters produced in a supersonic jet expansion utilizing mid-infrared spectroscopy in the 5-12 micrometer region realized by newly developed mid-infrared laser system using difference frequency generation in ZnGeP2 crystals. Fine optimization of the cluster formation condition was able us to record higher quality spectra. The threshold size of the proton transfer was determined at n=5 from the infrared spectra with a help of theoretical calculations. These results will contribute development of structurally reliable reaction mechanism study on excited state reactions using gas phase solvated clusters.

Research Products

• [Journal Article] Ground State Proton Transfer in Phenol-(NH3)n (n≤11) Clusters Studied by Mid-IR Spectroscopy in 3-10 μm Range (2013)
  • Author(s): Mitsuhiko Miyazaki, Ayako Kawanishi, Iben Nielsen, Ivan Alata, Shun-ichi Ishiuchi, Claude Dedonder, Christophe Jouvet, and Masaaki Fujii
  • Journal Title: The Journal of Physical Chemistry A Volume: 117(7) Issue: 7 Pages: 1522-1530
  • DOI: 10.1021/jp312074m
  • Peer Reviewed
• [Journal Article] Structure of 1-naphthol–water clusters in the S1 state studied by UV–IR fluorescence dip spectroscopy and ab initio molecular orbital calculations (2013)
  • Author(s): Toshihiko Shimizu, Ruriko Yoshino, Shun-ichi Ishiuchi, Kenro Hashimoto, Mitsuhiko Miyazaki, and Masaaki Fujii
  • Journal Title: Chemical Physics Letters Volume: 557 Pages: 19-25
  • DOI: 10.1016/j.cplett.2012.11.030
  • Peer Reviewed
• [Journal Article] Gas-phase Infrared Spectroscopy of Monopeptides from 10 to 3μm (2011)
  • Author(s): Mitsuhiko Miyazaki, Koji Makara, Shun-ichi Ishiuchi, Masaaki Fujii
  • Journal Title: Chemistry Letters Volume: 40 Issue: 10 Pages: 1157-1158
  • DOI: 10.1246/cl.2011.1157
  • NAID: 10029683533
  • Peer Reviewed
• [Presentation] 1-ナフトール‐アンモニアクラスターの励起状態プロトン移動反応のサイズ依存性の理論的研究 (2013)
  • Author(s): 清水 俊彦, 芳川 俊平, 宮崎 充彦, 藤井 正明
  • Organizer: 第7回分子科学討論会
  • Place of Presentation: 京都テルサ, 京都府京都市
  • Year and Date: 2013-09-26
• [Presentation] ベンゼンダイマーのエキシマー状態に対する中赤外分光-励起子共鳴が振動状態に及ぼす影響 (2013)
  • Author(s): 宮崎 充彦, 藤井 正明
  • Organizer: 第7回分子科学討論会
  • Place of Presentation: 京都テルサ, 京都府京都市
  • Year and Date: 2013-09-25
• [Presentation] 中赤外 dip 分光法による 1‐ナフトール・アンモニアクラスターのS_1 状態の構造決定-励起状態プロトン移動反応のサイズ依存性の解明に向けて- (2013)
  • Author(s): 芳川 俊平, 清水 俊彦, 吉野 るり子, 石内 俊一, 宮崎 充彦, 藤井 正明
  • Organizer: 第7回分子科学討論会
  • Place of Presentation: 京都テルサ, 京都府京都市
  • Year and Date: 2013-09-24
• [Presentation] Ground state proton transfer reaction in phenol-(NH_3 )_n ( n <= 11) clusters probed by vibrational spectroscopy in the skeletal vibrational region (2013)
  • Author(s): Mitsuhiko Miyazaki and Masaaki Fujii
  • Organizer: Seventh International Conference on Advanced Vibrational Spectroscopy
  • Place of Presentation: Kobe Convention center, Kobe Japan
  • Year and Date: 2013-08-28
• [Presentation] Theoretical study on vibrational signature of excited state proton transfer in 1-naphthol-ammonia clusters (2013)
  • Author(s): Toshihiko Shimizu, Mitsuhiko Miyazaki, and Masaaki Fujii
  • Organizer: Seventh International Conference on Advanced Vibrational Spectroscopy
  • Place of Presentation: Kobe Convention center, Kobe Japan
  • Year and Date: 2013-08-28
• [Presentation] Structure Determination and Excited State Proton Transfer Reaction of 1-Naphthol-Ammonia Clusters in the S_1 State Studied by UV-IR-UV Mid-IR Spectroscopy (2013)
  • Author(s): Shunpei Yoshikawa, Mitsuhiko Miyazaki, Weiler Martin, Haruki Ishikawa, and Masaaki Fujii
  • Organizer: International Symposium on Molecular Spectroscopy, 68th Meeting
  • Place of Presentation: The Ohio State University, Columbus, Ohio, USA
  • Year and Date: 2013-06-18
• [Presentation] UV-IR-UV 中赤外dip 分光法による 1-ナフトール・アンモニアクラスターの S_1 状態の構造決定 (2013)
  • Author(s): 芳川 俊平, 吉野 るり子, 清水 俊彦, Weiler Martin, 石内 俊一, 宮崎 充彦, 石川 春樹, 藤井 正明
  • Organizer: 日本化学会第93春季年会
  • Place of Presentation: 立命館大学, びわこ・くさつキャンパス, 滋賀県草津市
  • Year and Date: 2013-03-25
• [Presentation] 1-ナフトール‐アンモニアクラスターの励起状態プロトン移動反応のサイズ依存性の理論的研究 (2013)
  • Author(s): 清水 俊彦
  • Organizer: 第7回分子科学討論会
  • Place of Presentation: 京都テルサ、京都市
• [Presentation] ベンゼンダイマーのエキシマー状態に対する中赤外分光－励起子共鳴が振動状態に及ぼす影響 (2013)
  • Author(s): 宮﨑 充彦
  • Organizer: 第7回分子科学討論会
  • Place of Presentation: 京都テルサ、京都市
• [Presentation] 中赤外dip分光法による1‐ナフトール・アンモニアクラスターのS1状態の構造決定―励起状態プロトン移動反応のサイズ依存性の解明に向けて― (2013)
  • Author(s): 芳川 俊平
  • Organizer: 第7回分子科学討論会
  • Place of Presentation: 京都テルサ、京都市
• [Presentation] Ground state proton transfer reaction in phenol–(NH3)n (n ≤ 11) clusters probed by vibrational spectroscopy in the skeletal vibrational region (2013)
  • Author(s): Mitsuhiko Miyazaki
  • Organizer: Seventh International Conference on Advanced Vibrational Spectroscopy
  • Place of Presentation: Kobe Convention center, Kobe Japan
  • Invited
• [Presentation] Structure Determination and Excited State Proton Transfer Reaction of 1-Naphthol-Ammonia Clusters in the S1 State Studied by UV-IR-UV Mid-IR Spectroscopy (2013)
  • Author(s): Shunpei Yoshikawa
  • Organizer: International Symposium on Molecular Spectroscopy, 68th Meeting
  • Place of Presentation: The Ohio State University, Columbus, Ohio, USA
• [Presentation] UV-IR-UV中赤外dip分光法による1-ナフトール・アンモニアクラスターのS１状態の構造決定
  • Author(s): 芳川 俊平、吉野 るり子、清水 俊彦、Weiler Martin、石内 俊一、宮崎 充彦、石川 春樹、藤井 正明
  • Organizer: 日本化学会第93春季年会
  • Place of Presentation: 立命館大学、びわこ・くさつキャンパス、滋賀県草津市