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分子設計の基礎と展開

Research Project

Project/Area Number 02230104
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Research InstitutionOsaka University

Principal Investigator

村田 一郎  大阪大学, 理学部, 教授 (90028077)

Co-Investigator(Kenkyū-buntansha) 安藤 亘  筑波大学, 化学系, 教授 (30008429)
岩村 秀  東京大学, 理学部, 教授 (10011496)
新海 征治  九州大学, 理学部, 教授 (20038045)
大木 道則  岡山理科大学, 理学部, 教授 (40011407)
今村 詮  広島大学, 理学部, 教授 (70076991)
Project Period (FY) 1989 – 1991
Project Status Completed (Fiscal Year 1990)
Budget Amount *help
¥7,800,000 (Direct Cost: ¥7,800,000)
Fiscal Year 1990: ¥7,800,000 (Direct Cost: ¥7,800,000)
Keywords分子設計理論 / 分子の動的性質 / 分子認識場 / 不安定分子種 / 電子援受 / ヘテロ原子
Research Abstract

1.平成2年7月1日(月)、2日(火)の二日間、京都大学会館において平成2年度第一回公開シンポジウムを行った。ここでは計画研究・公募研究者全員の他、評価班から長倉、吉田、三角、岡本の四教授の出席を得て計画研究10件、公募研究4件の研究進展状況の発表があり、活発な質疑応答が行われた。この会議初日の昼食時に総括班会議が開かれ、評価委員より助言、今後の運営方針について協議し、第2回公開シンポジウム(平成3年1月21、22日、於福岡、世話人新海征治)、班長会議(平成2年10月5日、於広島)、ニュ-スレタ-No.2の編集、各班会議などを決定した。また二日目昼食時に各班会議を行い、成果報告等の連絡の他、第2回シンポジウム発表者を決定した。 2.平成2年10月5日(金)、広島秋季年会を利用して班長会議を行い、今年度のヒアリングおよび平成3年度重点領域研究申請等について打ち合わせを行った。3.各研究班の班会議が8がつ〜11月の期間にそれぞれ開かれ、各自の研究進歩状況を発表し問題点の討論が行われた。なお各班会議には理論班から1〜2名の担当班員が出席し、理論の立場からの助言と討論があり有益であった。この実験ー理論の協力体制は今後も強力に行う事とした。 4.平成3年1月21(月)、22日(火)の二日間、福岡共済会館(リ-セントホテル)において第2回公開シンポジウムを開き、計画研究6件、公募研究8件の発表・討論を行った。なお本シンポジウムには Ohio大学のL.A.Paquett教授が参加され、シクロオクタテトラエンの結合シフト・環反転に関する極めて示唆に富む講演があった。また同時に総括班会議・班会議が開かれ、次年度に向けての準備につき協議した。 5.ニュ-スレタ-No.2が発行された。 6.総括班で購入設置した質量分析計には多くの班員試料の測定依頼があり、有効に稼働している。

Report

(1 results)
  • 1990 Annual Research Report
  • Research Products

    (52 results)

All Other

All Publications (52 results)

  • [Publications] Tomoo Nakazawa: "Synthesis and Properties of 3ーSubstituted 8Hー3ーAzaheptalenー8ーones" Chem.Lett.91-92 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Kazuhiro Nakasuji: "Synthesis and Properties of 3,9ーDithiaperylene.A Third Isomer of PeriーCondensed Weitz Type Donors based on the perylene Skeleton" J.Chem.Soc.,Chem.Commun.366-367 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Hideaki Hori: "Ein monocyclisches Selenepin:Synthese und Charakerisierung von 2,7ーDiーtertーbuty1ー4,5ーselenepindicarbonsaurediethylester" Angew.Chem.102. 450-451 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Shigeharu Wakabayashi: "Novel Products in the Reaction of 6ーCyanotricyclo[5.5.0.0^<2,5>]dodeca 3,6,9,12ーtetraene with 2,3ーDichloroー5,6ーdicyanoー1,4ーbenzoquinone" J.Chem.Soc.Perkin I. 1489-1490 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Toshikazu Kitagawa: "Amphoteric Redox Nature of pーBenzoquinones with Donor and Acceptor Substituents" Chem.Lett.897-900 (1999)

    • Related Report
      1990 Annual Research Report
  • [Publications] William E.Acree,Jr.: "Polycylic Aromatic Hydrocarbons and Polycyclic Aromatic Sulfur Heterocycles:Examination of Molecular StructureーFluorescense Probe Character Correlations" Appl.Spectrosc.44. 951-957 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Satoshi Inagaki: "Conformational Adaptation:A New Aspect of Substituent Effects" Bull.Chem.Soc.Jpn.63. 2099-2100 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Atsushi Kawamoto: "Crystal and Electronic Structures of Radical Salts of 2,7ーBisー(methylthio)ー1,6ーdithiapyrene (MTDTPY) and 2,7ーBis(methylseleno)ーー1,6ーdithiapyrene (MSDTPY)" Bull.Chem.Soc.Jpn.63. 2137-2145 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Atsushi Kawamoto: "Electronic Structures of 2,7ーBis(methylthio)ー1,6ーdithiapyrene (MTDTPY) ChargeーTransfer Complexes" Bull.Chem.Soc.Jpn.63. 2146-2149 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Yuriko Aoki: "Molecular Orbital Study on the Electron Donating and Accepting Abilities of NonーAlternant Polycyclic Conjugated Hydrocarbons" Tetrahedron. 46. 6659-6672 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Keitaro Nishino: "Synthesis and Thermal Stability of 2ーMethylー1ーbenzothiepine" Chem.Express. 5. 853-856 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Shigeru Sasaki: "Synthesis of a Highily Amphoteric 8,16ーDiisopropylーsーindaceno [1,2,3ーCd;5,6,7ーc^1d^1]diphenalene:Switching Between Diatropism and Paratropism Accompanied by its Oxidation levels" Angew.Chem.103. (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] Kazuhiko Seki: "Electronic Structure of Poly(tetrafluoroethylene) Studied by UPS,VUV Absorption,and Band Calculations" Physica Scripta. 41. 167-171 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Shinーichirou Hayashi: "A STUDY USING A THROUGHーSPACE/BOND INTERACTION ANALYSIS FOR THE BAND STRUCTURES OF SUBSTITUTED POLYACETYLENEーBe SYSTEMS" Synthetic Metals. 36. 1-25 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Eijiro Watanabe: "A Study on Peierls Instability in OuasiーOneーDimensionalーSystem with InterchainーInteractions.SemiーEmpirical SelfーConsistent Field Molecular Orbital Approach" Bull.Chem.Soc.Japan. 63. 1678-1683 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Yuriko Aoki: "A MOLECULAR ORBITAL STUDY ON THE ELECTRON DONATING AND ACCEPTING ABILITIES OF NONーALTERNANT POLYCYCLIC CONJUGATED HYDROCARBONS" Tetrahedron. 46. 6659-6672 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Yuriko Aoki: "SelfーConsistentーField Perturbational Approach to Aperiodic Polymers" J.Mol.Struct.(Theochem).

    • Related Report
      1990 Annual Research Report
  • [Publications] Shinーichirou Hayashi: "Ab initio calculations of linear and nonlinear polarizabilities in the side chain direction on the conjugated polymers" Chem.Phys.Lett.

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Toyota: "Dynamic NMR as a Nondestructive Method for the Detetmination of Rates of Dissociation.XVII.Dissociation of the NーB Bond in the Coordinated Form of 2ー[2ー(Dimethylaminoーmethyl)phenyl]ー4,4ーdiphenylー1,3,2ーdioxaborolane and Related Compounds" Bull.Chem.Soc.Jpn.63. 1168-1173 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Y.Tamura: "Molecular Structure of 9ーChloromethylー1,4ーdimethoxytriptycene and Its Implications for the Presence of O...CH_2Cl Interactions" Bull.Chem.Soc.Jpn.63. 2555-2563 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] G.Yamamoto: "Restricted Rotation Involving the Tetr a hedral Carbon.LX.periーSubstituent Effect on the Rotational Barrier of the 9ーMethyl Group in SeveralTriptycene Derivatives" Bull.Chem.Soc.Jpn.63. 3550-3559 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] M.O^^ーki: "Methyl Group Can Stabilize Carbocations" Chem.Lett.2209-2212 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Toyota: "Dynamic NMR as a Nondestructive Method for the Determination of Rates of Dissociation.XVIII.Factors Affecting the Rates of Dissociation of NーB Bond in the Coordinated Form of 9ー[2ー(Dialkylaminomethyl)phenyl]ー9ーborabicyclo[3.3.1]nonane" Bull.Chem.Soc.Jpn.

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Toyota: "Dynamic NMR as a Nondestructive Method for the Determination of Rates of Dissociation.XIX.Sulfur Inversion in 9ー]2ー(Ethylthiomethyl)phenyl]ー9ーboraーbicyclo[3.3.1]nonane Proceeds via Dissociative Mechanism" Bull.Chem.Soc.Jpn.

    • Related Report
      1990 Annual Research Report
  • [Publications] A.Yamada: "NMR Relaxation Time Studies of Ionophoric Calixarene Esters" Chem.Lett.455-458 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "Synthesis and Inclusion Properties of“Neutral WaterーSoluble Calixarenes" Bull.Chem.Soc.Jpn.63. 1272-1274 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "Metal Selectivity of Conformational Isomers Derived from pーtーButylcalix[4]arene" Chem.Lett.835-838 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] O.Manabe: "DiazoーCoupling with a ResocinolーBased Cyclophane.A New WaterーSoluble Host with a Deep Cleft" Chem.Lett.1219-1222 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "“Cone"ー“Partial Cone"Isomerism in Tetramethoxyーpーtーbutylcalix[4]arene.Novel Solvent Effects and Metal Template Effects" Chem.Lett.1263-1266 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] K.Iwamoto: "Synthesis and Optical Resolution of a Chiral Calix[4]ーarene AsymmetricallyーSubstituted on the Lower Rim" Chem.Lett.1901-1904 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] T.Nagaski: "Synthesis and Solvent Extraction Properties of a Novel CalixareneーBased Uranophile Bearing Hydroxamate Groups" J.Chem.Soc.,Perkin Trans.1. 2617-2818 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "NMR and Crystallographic Studies of a pーSulfonatoーCalix[4]areneーGuest Complex" J.Am.Chem.Soc.112. 9053-9058 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] K.Araki: "“pK_a"of Calixarenes and Analogs in Nonaqueous Solvents" Bull.Chem.Soc.Jpn.63. 3480-3485 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "A Photochemically Activated Cyclophane" J.Chem.Soc.,Perkin Trans.2. 1905-1909 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "Synthesis and Optical Resolution of an Asymmetrically Substituted Calix[4]arene" J.Chem.Soc.,Chem.Commun.1734-1736 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] K.Iwamoto: "Remarkable Metal Template Effects on Selective Syntheses of pーtーButylcalix[4]arene Conformers" Tetrahedron Lett.31. 7169-7172 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Ikuo Fujita: "Design,Preparation,and ESR Detection of a GroundーState Undecet (S=5) Hydrocarbon" J.Am.Chem.Soc.112. 4074-4075 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Y.Nakamura: "Synthesis and Characterization of 2ーFerrocenylー4,4,5,5ーtetramethylー2ーimidazolinylー1ーoxyl 3ーOxide and Its CTーComplexes with DDQ" Chemistry Lett.69-72 (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] T.Ishida: "An Improved Synthesis of Poly(mーaniline) and the Magnetic Properties of Its HCI Salt" Chemistry Lett.317-318 (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] T.Ishida: "Bis(3ーtーbutylー5ー(Nーoxyーtーbutylamino)phenyl) Nitroxide in a Quartet Ground State:a Prototype for Persistent High Spin Poly(oxyiminoー1,3ーphenylenes)" J.Am.Chem.Soc.113. (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] 岩村 秀: "有機磁性体の今日と明日" 固体物理. 25. 539-544 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] 井上 克也: "有機強磁性体の分子設計" PETROTECH. 13. 871-876 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Ando,W.: "Heptasila(7)paracyclophane" Angew.Chem.Int.Ed.31. 1173-1176 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Ando,W.: "Synthesis and Structure of Pentasilacycloheptyne" Tetrahedron Lett.31. 3597-3598 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Ando,W.: "Synthesis and Reaction of (3.1.1)Trisilacyclopropellane" Tetrahedron Lett.31. 4185-4188 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Sakakibara,A.: "Photoreactions of Cyclotetrasilane and Cyclotetragermane in the Presence of Azobenzene" 日本化学会誌. 536-540 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Shimizu,T.: "Synthesis,Structure,and Stabilities of transー1,2ーDiphenyl 4,4,5,5,6,6ーhexamethylー4,5,6ーtrisilacycloheptene" J.Am.Chem.Soc.113. 354-355 (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "Liquid Membranes:Chemical Applications" CRC Press, 14 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "Bioorganic Chemistry Frontiers" Springer Verlag, 34 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "Cation Binding by Macrocycles" Marcel Dekker, 31 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Shinkai: "Inclusion Phenomena and Molecular Recognition" Plenum Publishing Co., 8 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] H.Iwamura: "Advances in Physical Organic Chemistry Chapt.3.HighーSpin Organic Molecules and Spin Alignment in Organic Molecular Assemblies" Academic Press, 75 (1990)

    • Related Report
      1990 Annual Research Report

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Published: 1990-04-01   Modified: 2016-04-21  

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