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Spectroscopic study on excitonic interactions in hydrogen-bonded dusters in the gas phase

Research Project

Project/Area Number 18350013
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionKyushu University

Principal Investigator

SEKIIYA Hiroshi  Kyushu University, Department of Chemistry, Faculty of Scienoes, Professor (90154658)

Co-Investigator(Kenkyū-buntansha) NAKANO Haruyuki  KYUSHU UNIVERSITY, Department of Chemistry, Faculty of Scienoes, Professor (90251363)
SAKOTA Kenji  KYUSHU UNIVERSITY, Department of Chemistry, Faculty of Scienoes, Assistant (80346767)
Project Period (FY) 2006 – 2007
Project Status Completed (Fiscal Year 2007)
Budget Amount *help
¥15,420,000 (Direct Cost: ¥14,700,000、Indirect Cost: ¥720,000)
Fiscal Year 2007: ¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
Fiscal Year 2006: ¥12,300,000 (Direct Cost: ¥12,300,000)
Keywordsexcitonic interaction / excited-state dynamics / supersonic jet / hydrogen bond / proton transfer / electronic spectrum / fluorescence / tunneling effect / エキシトン / 7-アザインドール2量体 / 1-アザカルバゾール2量体 / 孤立状態 / 分子間振動
Research Abstract

It is known that there are two types of excitonic interaction in Frenkel type: One is strong coupling case and the other is weak coupling case. The excitonic interaction in planar hydrogen-bonded dimer and clusters has not been clarified. We have investigated excitonic interactions in the hydrogen-bonded clusters in the gas phase with laser spectroscopic methods. The molecular systems we studied are 7-azaindole dime substituted 7-azaindole dimers (7AI_2), and 1-azacarbazole dimer (1AC_2). We have measured the electronic spectra of isotopomers, undeuterated (hh), one of the NH groups is deuterated (hd) , and the two NH groups are deuterated (dd). In the case of 7AI_2hd the excitation is completely localized on one monomer unit (h *d or hd*) in the lowest excited electronic sate (S_1), indicating that the 7AI_2 in the S_1 state should be classified as a weak coupling case of the exciton theory. The splitting of the zero-point level due to excitonic interaction has been determined to be〜2 cm^<-1>. The excitonic splittings of 4-chloro-7-azaindole dimer and 4-dimethylamino-7-azaindole dimer are predicted to be similar values as 7AI_2. On the other hand, the excitation is not completely localized on one monomer moiety in 1AC_2-hd The difference between 7Al_2 and 1AC_2is due to smaller excitonic splitting in the S_1 state of 1AC_2.

Report

(3 results)
  • 2007 Annual Research Report   Final Research Report Summary
  • 2006 Annual Research Report
  • Research Products

    (10 results)

All 2008 2007 2006 Other

All Journal Article (7 results) (of which Peer Reviewed: 5 results) Presentation (2 results) Remarks (1 results)

  • [Journal Article] Mechanism of excited-state doulble-proton transfer in the 7-azaindole dimer as a model DNA base pair revealed by frequency- and time-resolved2008

    • Author(s)
      H.Sekiya and K.Sakota
    • Journal Title

      J.Photochem.Photobiol.C-Photochem Reviews (印刷中)(In press)

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Heavy mass effect on excited-state double-proton transfer in the 7-azaindole dimer induced by Cl substitution2007

    • Author(s)
      X.Zhang, et. al.
    • Journal Title

      Chemical Physics Letters 441

      Pages: 176-180

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2007 Annual Research Report 2007 Final Research Report Summary
    • Peer Reviewed
  • [Journal Article] Cooperative triple-proton/hydrogen atom relay in 7-azaindole(CH_3OH)_2 in the gas phase:Remarkable change in the reaction mechanism from vibrational-mode specific to statistical fashion with increasing internal energy2007

    • Author(s)
      K.Sakota, et. al.
    • Journal Title

      Journal of Physical Chemistry A 111

      Pages: 4596-4604

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Observation of catalytic proton/hydrogen atom relay in microsolvated 7-azaindole-methanol cluster enhanced by a cooperative motion of the hydrogen-bonded network2007

    • Author(s)
      Sakota et al.
    • Journal Title

      Chemical Physics Letters 435

      Pages: 1-4

    • Related Report
      2006 Annual Research Report
  • [Journal Article] 塩基対の光誘起ダブルプロトン移動のメカニズム2006

    • Author(s)
      関谷 博、迫田 憲治
    • Journal Title

      固体物理(新しい水素の科学特集号) 41

      Pages: 814-822

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2007 Final Research Report Summary
    • Peer Reviewed
  • [Journal Article] Excited-state double-proton transfer in the gasphase. Resolution of the stepwise versus concerted mechanism controversy and a new naradigm2006

    • Author(s)
      H.Sekiya, K Sakota
    • Journal Title

      Bulletin of Chemical Society of Japan 79

      Pages: 373-385

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2007 Final Research Report Summary
    • Peer Reviewed
  • [Journal Article] 塩基対の光誘起ダブルプロトン移動のメカニズム2006

    • Author(s)
      関谷 博, 迫田憲治
    • Journal Title

      固体物理特集号「新しい水素科学II 水素のダイナミクスと電子状態」 41

      Pages: 118-126

    • Related Report
      2006 Annual Research Report
  • [Presentation] Spectroscopic studies on multi-proton/hydrogen transfer reactions in the 7-azaindole dimer and hydrated clusters of 7-azaindole2008

    • Author(s)
      H.Sekiya, et. al.
    • Organizer
      Fifth Discussion Meeting "Spectroscopy and dynamics of molecules and clusters"
    • Place of Presentation
      Tamiadu, India
    • Year and Date
      2008-02-23
    • Related Report
      2007 Annual Research Report
  • [Presentation] Spectroscopic study on hydrogen-bonded clusters in the gas phase.New aspects of multiple-proton transfer reactions2007

    • Author(s)
      H.Sekiya
    • Organizer
      Spectroscopic study on hydrogen-bonded clusters in the gas phase.New aspects of multiple-proton transfer reactions
    • Place of Presentation
      岡崎
    • Year and Date
      2007-11-10
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2007 Final Research Report Summary
  • [Remarks]

    • URL

      http://www.scc.kyushu-u.ac.jp/Kohzo/str3j.html

    • Related Report
      2007 Annual Research Report

URL: 

Published: 2006-04-01   Modified: 2016-04-21  

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