Specific structures and photoisomerization dynamics under strong intermolecular interactions

• Project/Area Number: 20350011
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Kyushu University
• Principal Investigator: SEKIYA Hiroshi Kyushu University, 大学院・理学研究院, 教授 (90154658)
• Co-Investigator(Kenkyū-buntansha): SAKOTA Kenji 九州大学, 大学院・理学研究院, 助教 (80346767) ; NANBU Shinkoh 上智大学, 理工学部, 教授 (00249955)
• Project Period (FY): 2008 – 2010
• Project Status: Completed (Fiscal Year 2010)
• Budget Amount: ¥19,240,000 (Direct Cost: ¥14,800,000、Indirect Cost: ¥4,440,000); Fiscal Year 2010: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000); Fiscal Year 2009: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000); Fiscal Year 2008: ¥14,170,000 (Direct Cost: ¥10,900,000、Indirect Cost: ¥3,270,000)
• Keywords: 光異性化 / 電荷移動 / プロトン移動 / 水素結合 / 結晶 / 分子間相互作用 / 蛍光スペクトル / 赤外スペクトル / 光異性化反応 / 微結晶 / 電子スペクトル / 励起状態ポテンシャル / 水素結合ネットワーク / 発光スペクトル / 3-ヒドロキシフラボン / 励起状態ダイナミクス

Research Abstract

Electronic and vibrational spectroscopy has been applied to crystalline 3-hydroxyflavone derivatives and 2-(2-hydroxypheny)benzimidazole, and 7-hydroxyquinoline in a low-temperature glass matrix. We have found that photoisomerization dyanmics such as proton-transfer and charge-transfer in these molecular systems in the solid state are very different from that in the isolated states.

Research Products

• [Journal Article] Chemiluminescence enhancement of 1,2-di[3,4,5-tri(3,4,5-trihydroxybenzoyloxy)benzoyloxy] benzene in the presence of quaternary ammonium ions (2010)
  • Author(s): Manabu Nakazono, Hiroki Agawa, Shinkoh Nanbu, Kiyoshi Zaitsu
  • Journal Title: Luminescence 25 Pages: 360-363
• [Journal Article] Electronic spectra of two long-lived photoproducts. double-proton transfer in 7-hydroxyquinoline dimer in a 2-methyl-tetrahydrofuran glass matrix (2010)
  • Author(s): Y.Nagai, K.Saita, K.Sakota, S.Nanbu, M.Sekine, M.Nakata, H.Sekiya
  • Journal Title: J.Phys.Chem.A 114 Pages: 5041-5048
• [Journal Article] Excited-state triple-proton transfer in 7-azaindole(H_2O)_2 and reaction path studied by electronic spectroscopy in the gas phase and quantum chemistry calculations (2010)
  • Author(s): K.Sakota, C.Jouvet, C.Dedonder, M.Fujii, H.Sekiya
  • Journal Title: J.Phys.Chem.A 114 Pages: 11161-11166
• [Journal Article] 4'-N,N-dimethylamino-3-methoxyflavone微結晶の特異的な蛍光スペクトル (2010)
  • Author(s): 清田一穂, 川原みよ子, 高須賀有紀, 中垣雅之, 関谷博, 日野和之, 新谷理恵, 中野博文, 中島清, 斉田謙一郎, 南部伸孝
  • Journal Title: 九州大学中央分析センター報告 28号 Pages: 17-23
• [Journal Article] 結晶状態における2-(2'-hydroxyphenyl)benzimidazoleの分子間水素結合ネットワークを介した多重プロトン移動による異性化反応 (2010)
  • Author(s): 永尾沙緒梨, 網本貴一, 清田一穂, 関根正彦, 中田宗隆, 関谷博
  • Journal Title: 九州大学中央分析センター報告 28号 Pages: 31-36
• [Journal Article] Electronic spectra of two long-lived photoproducts : double-proton transfer in 7-hydroxyquinoline dimer in a 2-methyltetrahydro- furan glass matrix (2010)
  • Author(s): Y.Nagai, K.Saita, K.Sakota, S.Nanbu, M.Sekine, M.Nakata, H.Sekiya
  • Journal Title: J.Phys.Chem.A Volume: 114 Pages: 5041-5048
  • Peer Reviewed
• [Journal Article] Electronic absorption spectra of photoreaction intermediates of 7-hydroxyquinoline monomer in a low-temperature argon matrix and time-dependent density-functional-theory calculations (2010)
  • Author(s): M.Sekine, Y.Nagai, H.Sekiya, M.Nakata
  • Journal Title: Chem.Phys.Lett. Volume: 490 Pages: 46-49
  • Peer Reviewed
• [Journal Article] Fluorescence and chemiluminescence properties of indolylmaleimides : experimental and theoretical studies (2010)
  • Author(s): Manabu Nakazono, Ai Jinguji, Shinkoh Nanbu, 他8名
  • Journal Title: Phys.Chem.Chem.Phys. Volume: 12 Pages: 9783-9793
  • Peer Reviewed
• [Journal Article] Control of Chemical Dynamics by Lasers : Theoretical Considerations (2010)
  • Author(s): Alexey D.Kondorskiy, Shinkoh Nanbu, Yoshiaki Teranishi, Hiroki Nakamura
  • Journal Title: J.Phys.Chem.A Volume: 114 Pages: 6171-6187
  • Peer Reviewed
• [Journal Article] Excited-state triple-proton transfer in 7-azaindole(H_2O)_2 and reaction path studied by electronic spectroscopy in the gas phase and quantum chemistry calculations (2010)
  • Author(s): K.Sakota, C.Jouvet, C.Dedonder, M.Fujii, H.Sekiya
  • Journal Title: J.Phys.Chem.A Volume: 114 Pages: 11161-11166
  • Peer Reviewed
• [Journal Article] 4'-N, N-dimethylamino-3-methoxyflavone微結晶の特異的な蛍光スペクトル (2010)
  • Author(s): 清田一穂, 川原みよ子, 高須賀有紀, 中垣雅之, 関谷博, 他5名
  • Journal Title: 九州大学中央分析センター報告 Pages: 17-23
• [Journal Article] 結晶状態における2-(2'-hydroxyphenyl)benzimidazoleの分子間水素結合ネットワークを介した多重プロトン移動による異性化反応 (2010)
  • Author(s): 永尾沙緒梨, 網本貴一, 清田一穂, 関根正彦, 中田宗隆, 関谷博
  • Journal Title: 九州大学中央分析センター報告 Pages: 31-36
• [Journal Article] Electronic Spectra of Two Long-Lived Photoproducts : Double-Proton Transfer in 7-Hydroxyquinoline Dimer in a 2-Methyltetrahydrofuran Glass Matrix (2010)
  • Author(s): Yuko Nagai, Kenichiro Saita, Hiroshi Sekiya, 他3名
  • Journal Title: Journal of Physical Chemistry A (印刷中)
  • Peer Reviewed
• [Journal Article] Theoretical study of photophysical properties of bisindolylmaleimide derivatives (2009)
  • Author(s): K.Saita, M.Nakazono, K.Zaitsu, S.Nanbu, H.Sekiya
  • Journal Title: J.Phys.Chem.A 113 Pages: 8213-8220
• [Journal Article] Photoinduced hydrogen-atom eliminations of 6-hydroxyquinoline and 7-hydroxyquinoline studied by low-temperature matrix-isolation infrared spectroscopy and density-functional-theory calculations (2009)
  • Author(s): M.Sekine, Y.Nagai, H.Sekiya, M.Nakata
  • Journal Title: J.Phys.Chem.A 113 Pages: 8286-8298
• [Journal Article] Theoretical Study of Photophysical Properties of Bisindolylmaleimide Derivatives (2009)
  • Author(s): Kenichiro Saita, Shinkoh Nanbu, Hiroshi Sekiya, 他2名
  • Journal Title: Journal of Physical Chemistry A 113 Pages: 8213-8220
  • Peer Reviewed
• [Journal Article] Photoinduced Hydrogen-Atom Eliminations of 6-Hydroxyquinoline and 7-Hydroxyquinoline Studied by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density-Functional-Theory Calculations (2009)
  • Author(s): Masahiko Sekine, Yuko Nagai, Hiroshi Sekiya, Munetaka Nakata
  • Journal Title: Journal of Physical Chemistry A 113 Pages: 8286-8298
  • Peer Reviewed
• [Journal Article] Charge transfer interaction of intermolecular hydrogen bonds in 7-azaindole(MeOH)n(n=1, 2)with IR-dip spectroscopy and natural bond orbital analysis (2009)
  • Author(s): Yutaka Kageura, Kenji Sakota, Hiroshi Sekiya
  • Journal Title: Journal of Physical Chemitry A 113 Pages: 688-6885
  • Peer Reviewed
• [Journal Article] Formation of a dual hydrogen bond in the N-H center dot center dot center dot C=O moiety in the in dole-(N-methylacetamide)1 cluster revealed by IR-dip spectroscopy with natural bond orbital analysis (2009)
  • Author(s): Kenji Sakota, Yuiga Shimazaki, Hiroshi Sekiya
  • Journal Title: Journal of Chemical Physics 130
  • Peer Reviewed
• [Journal Article] Spectroscopic study on the structural isomers of 7-azaindole(ethanol)n(n=1-3)and multiple-proton transfer reactions in the gas phase (2009)
  • Author(s): Kenji Sakota, Noriyuki Komure, Wataru Ishikawa, Hiroshi Sekiya
  • Journal Title: Journal of Chemical Physics 130
  • Peer Reviewed
• [Journal Article] Probe of the NH bond strength in ^1La and ^1L_b states of 7-azaindole with IR-dip spectroscopy : Insights into the electronic-state dependence of the multiple proton/hydrogen transfers in hydrogen-bonded clusters (2009)
  • Author(s): Kenji Sakota, Hiroshi Sekiya
  • Journal Title: Journal of Physical Chemistry A 113 Pages: 2663-2665
  • Peer Reviewed
• [Journal Article] Excited-state double-proton transfer in a model DNA base pair : Resolution for stepwise and concerted mechanism controversy in the 7-azaindole dimer revealed by frequency- and time-resolved spectroscopy (2008)
  • Author(s): H.Sekiya, K.Sakota
  • Journal Title: J.Photochem.and Photobiol.C-Photochem.Review 9 Pages: 81-91
  • NAID: 10021068661
• [Journal Article] Excited-state double-proton transfer in a model DNA base pair : Resolution for stepwise and concerted mechanism controversy in the 7-azatndole dimer revealed by frequency- and time-resolved spectroscopy (2008)
  • Author(s): Hiroshi Sekiya, Kenji Sakota
  • Journal Title: Journal of Photochemistry and Photobiology C-Photochemistry Review 9 Pages: 81-91
  • Peer Reviewed
• [Journal Article] Cooperativity of hydrogen-bonded networks in 7-azaindole(CH_3OH)_n (n=2,3) clusters evidenced by IR-UV ion-dip spectroscopy and natural bond orbital analysis (2008)
  • Author(s): Kenji Sakota, Y. Kageura, Hiroshi Sekiya
  • Journal Title: Journal of Chemical Physics 129
  • Peer Reviewed
• [Presentation] Photoisomerization reaction by multiple proton transfer through one-dimensional hydrogen-bond networks in 2-(2'-hydroxyphenyl)benzimidazole crystals" (2010)
  • Author(s): Nagao Saori, Kiichi Amimoto, Issui Kiyota, Masahiko Sekine, Munetaka Nakata, Hiorshi Sekiya
  • Organizer: Pacifichem 2010
  • Place of Presentation: Honolulu, USA
  • Year and Date: 2010-12-17
• [Presentation] Anomal emission from photoexcited 4'-dimethylaminoflavone microcrystals arise from isomerization under strong intermolecular interactions (2010)
  • Author(s): Issui Kiyota, Kazuhiko Hino, Hirofumi Nakano, 他4名
  • Organizer: Pacifichem 2010
  • Place of Presentation: Honolulu, USA
  • Year and Date: 2010-12-17
• [Presentation] Excited-state multiple-proton transfer in solvated 7-azaindole clusters in the gas phase (2010)
  • Author(s): Hiroshi Sekiya, Kenji Sakota
  • Organizer: Pacifichem 2010
  • Place of Presentation: Honolulu, USA
  • Year and Date: 2010-10-17
• [Presentation] 微結晶状態における2-(2'-hydroxyphenyl)benzimidazoleの分子間水素結合ネットワークを介した多重プロトン移動による異性化反応 (2010)
  • Author(s): 永尾沙緒梨, 網本貴一, 清田一穂, 関根正彦, 中田宗隆, 関谷博
  • Organizer: 分子科学討論会
  • Place of Presentation: 大阪
  • Year and Date: 2010-09-17
• [Presentation] 微結晶状態における4'-N,N-dialkylamino-3-methoxyflavoneの光異性化による特異的な発光スペクトルの観測 (2010)
  • Author(s): 清田一穂, 日野和之, 中野博文, 中島清彦, 中垣雅之, 斉田謙一郎, 南部伸孝, 関谷博
  • Organizer: 分子科学討論会
  • Place of Presentation: 大阪
  • Year and Date: 2010-09-17
• [Presentation] Photo-induced rearrangement of water network in hydrated amide groups (2010)
  • Author(s): Hiroshi Sekiya_ Kenji Sakota
  • Organizer: The Molecular and Ionic Cluster Conference 2010
  • Place of Presentation: Tokamachi, Niigata
  • Year and Date: 2010-09-17
• [Presentation] 微結晶状態における2-(2'-hydroxyphenyl)benzimidazoleの分子間水素結合ネットワークを介した多重プロトン移動による異性化反応 (2010)
  • Author(s): 永尾沙緒梨, 網本貴一, 清田一穂, 他3名
  • Organizer: 分子科学討論会2010
  • Place of Presentation: 大阪大学
  • Year and Date: 2010-09-17
• [Presentation] フェニル酢酸エステル化した3-ヒドロキシフラボン類の合成とその分光学的性質 (2010)
  • Author(s): 日野和之1, 廣瀬裕惟, 他4名
  • Organizer: 分子科学討論会2010
  • Place of Presentation: 大阪大学
  • Year and Date: 2010-09-16
• [Presentation] 微結晶状態における4'-N,N-dialkylamino-3-methoxyflavoneの光異性化による特異的な発光スペクトルの観測 (2010)
  • Author(s): 清田一穂, 日野和之, 中野博文, 中島清彦, 他4名
  • Organizer: 分子科学討論会2010
  • Place of Presentation: 大阪大学
  • Year and Date: 2010-09-14
• [Presentation] Photoisomerization reaction by multiple proton transfer through one-dimensional hydrogen-bond networks in 2-(2'-hydroxyphenyl) benzimidazole crystals (2010)
  • Author(s): 永尾沙緒梨, 網本貴一, 清田一穂, 関根正彦, 中田宗隆, 関谷博
  • Organizer: PACIFICHEM 2010
  • Place of Presentation: Honolulu, USA
• [Presentation] Anomal emission from photoexcited 4'-dimethylaminoflavone microcrystals arise from isomerization under strong intermolecular interactions (2010)
  • Author(s): 清田一穂, 日野和之, 中野博文, 中島清彦, 中垣雅之, 南部伸孝, 関谷博
  • Organizer: PACIFICHEM 2010
  • Place of Presentation: Honolulu, USA
• [Presentation] Non-adiabatic dynamics with semiclassical trajectories : applications to photo-isomerization (2010)
  • Author(s): 南部伸孝
  • Organizer: PACIFICHEM 2010
  • Place of Presentation: Honolulu, USA
• [Presentation] New ab initio molecular dynamics method with semiclassical trajectories : Photophysical/chemical process of large molecule (2010)
  • Author(s): K.Saita, A.D.Kondorskiy, 南部伸孝
  • Organizer: PACIFICHEM 2010
  • Place of Presentation: Honolulu, USA
• [Presentation] Hydrogen encapsulation using non-adiabatic tunneling (2010)
  • Author(s): 南部伸孝
  • Organizer: 69^<th> Okazaki Conference on New Frontier in Quantum Chemical Dynamics
  • Place of Presentation: Okazaki, Japan
• [Presentation] New features of excited-state multiple-proton/hydogen transfer reaction in hydrog en-bonded clusters (2009)
  • Author(s): Kenji Sakota, Hiroshi Sekiya
  • Organizer: The Second Asian Spectroscopy Conference
  • Place of Presentation: Seoul, Korea
  • Year and Date: 2009-12-02
• [Presentation] 結晶中の4'-N-Nジアルキルアミノ-3-ヒドロキシフラボンの電荷移動発光-溶液状態とは著しく異なる発光特性 (2009)
  • Author(s): 高須賀有紀, 川原みよ子, 永井裕子, 迫田憲治, 関谷博, 新谷理恵, 中野博文, 中島清彦, 日野和之
  • Organizer: 第3回分子科学討論会
  • Place of Presentation: 名古屋
  • Year and Date: 2009-09-24
• [Presentation] 結晶中の4-N, N-ジアルキルアミノ-3-ヒドロキシフラボンの電荷移動発光-溶液状態と著しく異なる発光特性 (2009)
  • Author(s): 関谷博, 他8名
  • Organizer: 第3回分子科学討論会名古屋
  • Place of Presentation: 名古屋大学
  • Year and Date: 2009-09-24
• [Presentation] 半古典理論を用いた励起状態動力学 : ビスインドリルマレイミド誘導体の蛍光過程 (2009)
  • Author(s): 斉田謙一郎, Kondorskiy Alexey, 中園学, 財津潔, 南部伸孝, 関谷博
  • Organizer: 第3回分子科学討論会
  • Place of Presentation: 名古屋
  • Year and Date: 2009-09-24
• [Presentation] 量子化学計算と半古典動力学によるインドリルマレイミドの光物理過程の研究 (2009)
  • Author(s): 鄭子龍, 斉田謙二郎, 村上龍大, 中園学, 財津潔, 関谷博, 南部伸孝
  • Organizer: 第3回分子科学討論会
  • Place of Presentation: 名古屋
  • Year and Date: 2009-09-24
• [Presentation] 孤立気相中における7-アザインドール・t-ブチルアルコールクラスターの励起状態多重プロトン移動に関する研究 (2009)
  • Author(s): 木村賢二, 井上尚美, 迫田憲治, 中垣雅之, 中野晴之, 関谷博
  • Organizer: 第3回分子科学討論会
  • Place of Presentation: 名古屋
  • Year and Date: 2009-09-23
• [Presentation] 孤立気相中における7-アザインドール(H_2O)n(n=5-9)クラスターの水素結合構造に関する研究 (2009)
  • Author(s): 樫山由貴, 迫田憲治, 関谷博
  • Organizer: 第3回分子科学討論会
  • Place of Presentation: 名古屋
  • Year and Date: 2009-09-21
• [Presentation] Excited-state multiple-proton transfer in solvated 7-azaindole clusters (2009)
  • Author(s): Kenji Sakota, Hiroshi Sekiya
  • Organizer: Symposium on 25 Years of ZEKE Spectroscopy, Fall 2009 National Meeting of ACS
  • Place of Presentation: Washington, USA
  • Year and Date: 2009-08-20
• [Presentation] 結晶構造に依存した4'-N, N-ジエチルアミノ-3-ヒドロキシフラボンの電荷移動反応の観測 (2008)
  • Author(s): 河原みよ子, 高須賀有希, 関谷博, et al.
  • Organizer: 分子科学討論会(福岡)2008
  • Place of Presentation: 福岡国際会議場(福岡)
  • Year and Date: 2008-09-24
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