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Organic Orbital Theory-Fundamentals and Applications

Research Project

Project/Area Number 08304036
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section総合
Research Field Organic chemistry
Research InstitutionThe University of Tokyo

Principal Investigator

TOMODA Shuji  The University of Tokyo, Graduate School of Arts and Sciences Professor, 大学院・総合文化研究科, 教授 (30092282)

Co-Investigator(Kenkyū-buntansha) YAMADA Shin-ichi  Nara Women's Educational University, Dept. of Education Professor, 教育学部, 教授 (00109117)
FUJIMOTO Hiroshi  Kyoto University Graduate School of Engineering Professor, 大学院・工学研究科, 教授 (40026068)
KIRA Mitsuo  Tohoku University Graduate School of Sicences Professor, 大学院・理学研究科, 教授 (40004452)
OHWADA Tomohiko  The University of Tokyo, Pharmaceutical Department Assistant, 薬学部, 助手 (20177025)
INAGAKI Satoshi  Gifu University, Dept, of Engineering Professor, 工学部, 教授 (10108061)
Project Period (FY) 1996
Project Status Completed (Fiscal Year 1996)
KeywordsFrontier Orbital Theory / Organic Orbital Theory / Quantum Organic Chemistry / Quantum Chemistry / Molecular Orbital Theory
Research Abstract

This research proposal was intended to organize for the first time a combined academic group of Japanese experimental and theoretical organic chemisis, who are interested in research related to organic orbital theory. The group consists mostly of the members of Quantum Organic Chemist's Association (QOCA ; Chairman : Hiroshi Fujimoto ; Secretary Genetal : Shuji Tomoda) whose aim is directed toward the discovery of novel theories and concepts in the field of physical organic chemictry.
The group had two meetings and one public symposium during this fiscal year. The first meeting was held on July 29,1996 at Gifu University. The second meeting was planned immediately after belated notice from the Ministry in early October. Since this notice was unexpected and none of us had not been prepared for it, the meeting was held in Kyoto on January 25,1997, the next day of the 2nd Quantum Organic Chemistry Symposium, which had been planned to be held in Kyoto under the auspices of QOCA.The two meetings were very useful for the members in that they provided valuable chances to us experimental or theoretical chemists to stimulate each other. The 2nd Quentum Organic Chemistry Symposium was open to the chemists outside QOCA.Ninety three chemists attended, which seemed show the bright future of QOCA.
Our country has accumulated tremendous amount of academic fortune in the history of organic quantum chemistry. The most representative one is Fukui's frontier orbital theory. The fortune must be succeeded and develped to create a new, simple, convenient and widely applicable organic orbital concepts in the field of organic chemistry to further stimulate industrial R & D and educational efficiency in organic chemistry.

Report

(2 results)
  • 1996 Annual Research Report   Final Research Report Summary
  • Research Products

    (30 results)

All Other

All Publications (30 results)

  • [Publications] S.Tomoda: "Nature of the Intramolecular Se…N Nonbonded. Interation of 2-Selenobenzylamine Derivatives." J.Am.Chem.Soc.118・34. 8077-8084 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Inagaki: "Geminal Delocalization of J-Electrons and Inverted Tetrahedral Configurations of the Bridged Carbons." J.Phys.Chem.100・23. 9615-9618 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Ohwada: "Orbital Unsymmetrization Affects Facial Selectivities of Diels-Alder Dienophiles." J.Org.Chem.61・9. 3155-3166 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Kira: "Tetrakis (trialkylsilyl) digermenes. Salient Effects of Trialkylsilyl Substituents." Orgamometallics. 15・18. 3767-3769 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Fujimoto: "Mechanisms of the Cycloaddition Reaction of Methylene-cyclopropane-Palladium and Cxa-and Azatrimethyl." Inorg.Chem.35・1. 231-238 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Yamabe: "Retene is a Dienophile for 〔4+2〕 (Diels-Alder) Reactions across Its C=0 Bond." J.Am.Chem.Soc.118・27. 6518-6519 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Iwaoka, S.Tomoda: "Nature of the Intramolecular Se...N Non-bonded Interraction of 2-Selnobenzylamine Derivatives." J.Am. Chem. Soc.118. 8077-8084 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Inagaki: "Geminal Delocalization of 5-Electrons and Inverted Tetrahedral Configurations of the Bridged Carbons." J.Phys. Chem.100. 9615-9618 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Ohwada: "Orbital Unsymmetrization Affects Facial Selectivities of Diels-Alder Dienophiles." J.Org. Chem.61. 3155-3166 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Kira: "Tetrakis (trialkylsilyl) digermens. Salient Effects of Trialkylsilyl Substituents." Organometallies.15. 3767-3769 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Fujimoto: "Mechanism of the Cycloaddition Reaction of Methylene-cyeloprapane-Palladium and Oxa-and Azatrimethyl." Inorg. Chem.35. 231-238 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Yamabe: "Ketene is a Dienophile for [4+2](Diels-Alder) Reactions scross Its c=o Bond" J.Am. Chem. Soc.118. 6518-6519 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Tomoda: "Nature of the Intramolecular Se N Nonbonded Interaction of 2-Selenobenzylamine Derivotives." J.Am.Chem.Soc.118・34. 8077-8084 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Inagaki: "Geminal Delocalization of τ-Electrons and Inverted Tetrahedral Configurations of the Brigehed Carbons." J.Phys.Chem.100・23. 9615-9618 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Ohwada: "Orbital Unsymmetrization Affects Facial Selectivities of Diels-A lder Dienophiles." J.Org.Chem.61・9. 3155-3166 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Kira: "Tetrakis(trialkylsilyl)digermenes.Salient Effects of Trialkylsilyl Sabstituents・・・・・" Organommetallics. 15・18. 3767-3769 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Fujimoto: "Mechanisms of the Cycloaddition Reaction of Methylene-cyclopropane-Palladium and Oxa-and Azatrimethyl." Inorg.Chem.35・1. 231-238 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Yamabe: "Ketene is a Dienophile for[4+2](Diels-Alder)Reactions across Its C=O Bond" J.Am.Chem.Soc.118・27. 6518-6519 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Tsuji: "Direct Synthesis of 2-Norbornanone Dithioacetals from 2-Cyelopentenone dithioacetals and Dienophiles." Tetrahedron. 25・30. 9979-9990 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Hori: "Theoretical Study on Crown Compounds as a Buiding Block of the Molecule with Function II." Tetrahedron. 52・24. 8199-8208 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] 時田 澄夫: "水素原子のオ-ビタルの電子辞書化に関する研究" 埼玉大学分析センター機関誌. 16. 1-13 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Nagase: "Structures and electronic states of endohedral dimentallofullerenes." Chem.Phys.Lett.262. 227-232 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Ichikawa: "Analysis of Chemical Phenomena by Solving the Constrained HF Equation." Bull.Chem.Soc.Japan. 70. 61-71 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Kawamura: "Structure and Fluxional Behavior of cis-Bis(Stannyl)-bis(Phosphine)Platinum." J.Am.Chem.Soc.118(44). 10922-10923 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] R.Okazaki: "The first 1,2,4-thiadisiletane ring compound:Synthesis from an overcrowded silylene and CS_2." J.Chem.Soc.Chem.Commun.1996. 125-126 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Uemura: "Novel asymmetric catalytic synthesis of sulfimides." J.Chem.Soc.Chem.Commun.1996. 931-932 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Nakasuji: "Hydrogen-Bonded metal complexes containing diphenylglyoxime ligands." Mol.Cryst.Lig.Cryst.285. 287-294 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Okuyama: "Buffer catalysis of the hydrolysis of phenyl and methyl benzenesulfinates." Bull.Chem.Soc.Jpn.69・11. 3281-3287 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Yamataka: "Stablity-Reactivity Relation on the Reaction of β,β-Disubstituted Vinyl Cations with Ethanol." J.Org.Chem.61・16. 5274-5279 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Yamamoto: "Synthesis and Electrochemistry of Tetraphenylporphyrins Containing an Antvnoni-Carbon τ-Bond" Inorg.Chem.35・19. 5564-5569 (1996)

    • Related Report
      1996 Annual Research Report

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Published: 1999-03-08   Modified: 2016-04-21  

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