1989 Fiscal Year Annual Research Report

分子設計の基礎と展開

Research Project

Project/Area Number	01648004
Research Institution	Osaka 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, 科学系, 教授 (30008429) 岩村秀東京大学, 理学部, 教授 (10011496) 新海征治九州大学, 工学部, 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)
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 / 電子授受 / ヘテロ原子
Research Abstract	1.平成元年7月3日(火)、4日(水)、の二日間、共済会館新大阪シティプラザにおいて第1回研究連絡全体会議を行った。本会議では計画研究分担者と公募研究の研究者全員の他、評価班から長倉、吉田、三角の三教授の出席を得て、計画研究は各班長から今年度の研究計画の概要の説明があり、また各公募研究の代表者から採択研究計画が述べられ、活発な質疑応答が行われた。この会議中一日目の昼食時を利用して総括班会議が開かれ、今後の研究の進め方について協議し、第2回研究連絡全体会議(平成2年1月22、23日、於東京)、班長会議(平成元年9月27日、於大阪)、ニュースレター発行(小田担当)、班会議などを決定した。また二日目昼食時には班会議を行い、事務的連絡の他、第2回研究会の発表者を決めた。2.平成元年9月27日(水)、大阪大学理学部化学科名誉教授室において班長会議を開き、平成2年度の重点領域研究申請についての細部の打合せを行った。3.各班研究連絡会議を以下の通り開催し、研究進歩の状況、問題点につき討論を行った。A01:9月23日、札幌共済会館;A02:9月30日、岡山理大;A03:10月11日、12日:九大合成化学科;A04:8月4日、5日芦屋奥池ロッジ;A05:9月29日、30日、私学共済有馬宿泊所;A06:10月6日、7日、松山郵便貯金会館。4.理論班と実験班の協力関係を確立するため、各実験班に対し3名づつの理論班員を担当者として配置した。5.平成2年1月22日(月)、23(火)の二日間、東大理学部化学科講堂において第1回公開シンポジウムを開き、計画・公募班員のうち14により本年度の研究成果についての発表会を行った。また併せて総括班会議、班会議を行って、次年度に向けての準備を行った。6.総括班で購入した高分解能核磁気共鳴装置および質量分析計は順調に荷動し、班員の研究に役立っている。

Research Products

(47 results)

All Other

All Publications (47 results)

[Publications] Yoshikazu Sugihara: "An Unusual Thermal Behaviour of Tricyclo[4.1.0.0^<2,7>]heptー4ーenー3ーone(Tropovalene)" J.Chem.Soc.,Chem.Commun.537-539 (1989)
[Publications] Kenichi Imaeda: "Electronic Properties of New Organic Conductors Based on 2,7ーBisー(methylthio)ー1,6ーdithiapyrene(MTDTPY)with TCNQ and pーBenzoquinone" Bull.Chem.Soc.Jpn.62. 372-379 (1989)
[Publications] Nobuyuki Harada: "Interchromophoric Homoconjugation Effect and Intramolecular Charge Transfer Transition of the Triptycene System Containing a Tetracyanoquinodimethane Chromophore" J.Chem.Soc.,Perkin II. 1449-1453 (1989)
[Publications] Yoshikazu Sugihara: "1ーPhenalenol:Isolation and Disproportionation Reaction" Angew.Chem.,Int.Ed.Engl.28. 1268-1269 (1989)
[Publications] Kimiaki Yamamura: "Cyclohepta[1]phenanthrenylium Ion Derivatives:Intramolecular cyclization of 1ーPhenylー2ーtropylbenzenes" Chem.Lett.1511-1514 (1989)
[Publications] Kazuhiro Nakasuji: "Synthesis and Properties of 1,7ーDithiaperylene:A New Pericondensed Weitz Type Donor" J.Chem.Soc.,Chem.Commun.1553-1554 (1989)
[Publications] Ichiro Murata: "Some New Aspects of Thiepine and Thiazepine Chemistry" Phosphorus,Sulfur and Silica. 43. 243-259 (1989)
[Publications] Kazuhiro Nakasuji: "Synthesis and Characterization of Phenalenyl Cations,Radicals,and Anions Having Donor and Acceptor Substituents" J.Am.Chem.Soc. 111. 9265-9267 (1989)
[Publications] Akira Imamura: "A Theoretical Study of the Ionized State of Polymers with the Localized Molecular Orbital Method" Bull.Chem.Soc.Jpn.,. 62. 979-984 (1989)
[Publications] Masato Suzuki: "Application of the Recursion Method to the Study of the End Effect on the Bond Length Asternation in Polyacetylene" Int.J.Quantum.Chem.,. 35. 613-628 (1989)
[Publications] Yuriko Aoki: "An Energyーdecomposition Technique for the Analysis of Band Structure and its Application to Polyphosphazene and its Halogenated Derivatives" J.Mol.Struct.(Theochem),. 188. 321-335 (1989)
[Publications] Takashi Ushio: "An Analysis of the Throughーbond Interaction Using the Localized Molecular Orbitals with ab initio CalculationsーV HOMO Energy Levels of Many Propellane Compounds" Tetrahedron. 45. 7743-7758 (1989)
[Publications] Shinichirou Hayashi: "A Study Using a Through Space/Bond Interaction Analysis for the Band Structures of Substituted PolyacetyleneーBe System" Synthetic Metals.
[Publications] Eijiro Watanabe: "A Study on Peierls Instability in QuasiーOneーDimensionalーSystem with InterchainーInteractionsーーSemiーEmpirical SelfーConsistent Field MO Approach" Bull.Chem.Soc.Jpn.,.
[Publications] Sinji Toyota: "Dissociation of the NーB Bond in the Coordinated Form of 2ー[2ー(Dimethylaminomethyl)Phenyl]ー4,4ーdiphenylー1,3,2ーdioxaborolane and Related Compounds" Bull.Chem.soc.Jpn. 63. (1990)
[Publications] S.Shinkai: "Autoaccelerative Diazo Coupling with Calix[4]arene:Unusual Coーoperativity of the Calixarene Hydroxy Groups" J.Chem.Soc.,Perkin Trans.1. 195-196 (1989)
[Publications] K.Araki: "Activation Paramaters for Clixarene Ring Inversion As Determined by ConputerーAssisted Spectrum Simulation" Chem.Lett.581-584 (1989)
[Publications] T.Arimura: "Formation of SolventーSeparated Ion Pairs in Calixarene EsterーAlkali Picrate Complexes" Bull.Chem.Soc.Jpn.62. 1674-1676 (1989)
[Publications] S.Shinkai: "New WaterーSoluble Calixarenes Bearing the Solphonate Groups on the“Lower Rim":Relations between the Calixarene Shape and the Binding Ability" J.Chem.Soc.,Perkin Trasns.1. 1073-1074 (1989)
[Publications] S.Shinkai: "DiazoーCoupling Reactions with Calix[4]arenes.pk_a Determination with Chromophoric Azocalix[4]arenes" Chem.Lett.931-934 (1989)
[Publications] S.Shinkai: "Ion Permeation through PolymerーSupported Steroidal Crown Membranes" J.Polym.Sci.,Polym.Lett.Ed.27. 209-213 (1989)
[Publications] Y.Ishikawa: "Formation of Calixarene Monolayers Which Selectively Respond to Metal Ions" J.Chem.Soc.,Chem.Commun.736-738 (1989)
[Publications] T.Arimura: "“Template Effects"on Calixarene Conformations through HostーGuest Interactions" Tetrahedron Lett.30. 2563-2566 (1989)
[Publications] S.Shinkai: "Molecular Recognition of CalixareneーBased Host Molecules" J.Inclusion Phenom.,Mol.Recog.Chem.7. 193-201 (1989)
[Publications] S.Shinkai: "CalixareneーCatalyzed Basic Hydrolysis of pーNitrophenyl Dodecanoate:A Posible Change in the Mechanism from“Deshielding"to“Hostーguest"" J.Am.Chem.soc.111. 5477-5478 (1989)
[Publications] S.Shinkai: "Selective Ion Permeation across Membranes Containing Crown Ethers with Steroid Moiteies" Macromol.Chem.,Rapid Commun. 10. 361-366 (1989)
[Publications] T.Arimura: "HostーGuest Properties of New Waterーsokuble Calixarenes Derived from pーChloromethylcalixarenes" J.Org.Chem.54. 3766-3768 (1989)
[Publications] S.Shinkai: "Selective Extraction and Transport of UO_2^<2+> with Calixareneーbased Uranophiles" J.Chem.Soc.,Perkin Trans.2. 1167-1171 (1989)
[Publications] S.Shinkai: "Cationic WaterーSoluble Calixarenes:New Host Molecules with Catalyse Basic Hydrolysis of a Phosphate Ester" J.Chem.Soc.,Perkin Trans.1. 1859-1860 (1989)
[Publications] I.Yoshida: "Solvent Extraction of Copper(II)Ion with pーtーButylcalix[6]arene from the Ammonia Alkaline Solution" Chem.Lett. 1535-1538 (1989)
[Publications] K.Araki: "On the Conformational Isomers in TetraーOーalkylcalix[4]arenes" Chem.Lett.1747-1750 (1989)
[Publications] S.Shinkai: "Specific inhibition of Flavin Catalyses by a“Molecular Hinge"" Tetrahedron Lett. 30. 5895-5898 (1989)
[Publications] S.Shinkai: "Syntheses and Aggregation Properties of New WaterーSoluble Calixarenes" J.Chem.Soc.,Perkin Trans.1. 2039-2045 (1989)
[Publications] S.Shinkai: "(2ーPyridymethoxy)calixarenes:New Versatile Ionophores for Metal Extraction" Bull.Chem.Soc.Jpn.62. 4055-4057 (1989)
[Publications] S.Shinkai: "NMR Determination of Association Constants for Aqueous Calixarene Complexes and Guest Template Effects on the Conformational Freedom" Bull.Chem.Soc.Jpn. 62. 3856-3862 (1989)
[Publications] Hiizu IWAMURA,Shigeru MURATA: "Magnetic Coupling of Two Triplet Phenylnitrene Units Joined through an Acetylenic or a Diacetylenic Linkage" Mol.Cryst.Liq.Cryst. 176. 33-48 (1989)
[Publications] R.OKAZAKI,M.TAKAHASHI,N.INAMOTO,T.SUGAWARA,H.IWAMURA: "Photoreation of 3ーAzidoー5,7ーdiーtertーbutylー2,1ーbenzisothiazole.Spectroscopic Detection of a Thionitroso Intermediate" Chemistry Lett.2083-2086 (1989)
[Publications] Noboru KOGA,Katsuya INOUE,Noriko SASAGAWA,Hiizu IWAMURA: "Magnetic Properties of Microcrystalline“Poly(phenylーdiacetylenes)"Carrying Radical or Carbene Center on the Side Chains" J.Materials Res.5. (1990)
[Publications] 岩村秀: "分子系におけるスピン整列ー有機強磁性体の分子設計" 応用物理. 58. 1061-1068 (1989)
[Publications] 古賀登,岩村秀: "フェニルメチレニル基を有するテトラフェニルボルフィリンおよびその亜鉛錯体の発生。ボルフィリン環を通してのジフェニルカルベン単位間の交換相互作用" 日本化学会誌. 1456-1462 (1989)
[Publications] Wataru Ando Takeshi Tsumuraya: "Themolysis of Cyslotrigermane:Simple Preparation of Digermetanes containing GermaniumーGermanium Bond" J.Chemical Society Chemical Communication. 12. 770-772 (1989)
[Publications] Norihiro Tokitoh Nami Choi,Midori Goto,Wataru Ando: "Formation of Cyclopentenethiones via Cyclization of Thioxallyl Cations" Journal of Organic Chemistry. 54. 4660-4663 (1989)
[Publications] Norihiro Goto,Tomoko Suzuki,Wataru Ando: "A Facile Synthesis and Novel Reactions of 1,2,3,4ーPentatetraene Episulfides" Tetrahedron Letters. 30. 4271-4274 (1989)
[Publications] Norihiro Tokito,Hitoshi Ishizuka,Akira Yabe,Wataru Ando: "Competititve Photochemical Decarogenation of 1,2,5ーThiadisenole" Tetrahedron Letters. 30. 2955-2958 (1989)
[Publications] Wataru Ando,Masahiro Kako,Takeshi Akasaka: "Formation of 1,2ーDioxolane in the Singlet Oxygenation of a SiliconーSilicon ーBond:Peroxonium Ion Intermediate" Tetrahedron Letters. 30. 6705-6708 (1989)
[Publications] 西本吉助: "分子設計のための量子化学" 講談社, 310 (1989)
[Publications] 新海征治: "包接化合物の基礎と応用" NTS, 32 (1989)

1989 Fiscal Year Annual Research Report

分子設計の基礎と展開

Principal Investigator

村田 一郎 大阪大学, 理学部, 教授 (90028077)

Research Products

[Publications] Yoshikazu Sugihara: "An Unusual Thermal Behaviour of Tricyclo[4.1.0.0^<2,7>]heptー4ーenー3ーone(Tropovalene)" J.Chem.Soc.,Chem.Commun.537-539 (1989)

[Publications] Kenichi Imaeda: "Electronic Properties of New Organic Conductors Based on 2,7ーBisー(methylthio)ー1,6ーdithiapyrene(MTDTPY)with TCNQ and pーBenzoquinone" Bull.Chem.Soc.Jpn.62. 372-379 (1989)

[Publications] Nobuyuki Harada: "Interchromophoric Homoconjugation Effect and Intramolecular Charge Transfer Transition of the Triptycene System Containing a Tetracyanoquinodimethane Chromophore" J.Chem.Soc.,Perkin II. 1449-1453 (1989)

[Publications] Yoshikazu Sugihara: "1ーPhenalenol:Isolation and Disproportionation Reaction" Angew.Chem.,Int.Ed.Engl.28. 1268-1269 (1989)

[Publications] Kimiaki Yamamura: "Cyclohepta[1]phenanthrenylium Ion Derivatives:Intramolecular cyclization of 1ーPhenylー2ーtropylbenzenes" Chem.Lett.1511-1514 (1989)

[Publications] Kazuhiro Nakasuji: "Synthesis and Properties of 1,7ーDithiaperylene:A New Pericondensed Weitz Type Donor" J.Chem.Soc.,Chem.Commun.1553-1554 (1989)

[Publications] Ichiro Murata: "Some New Aspects of Thiepine and Thiazepine Chemistry" Phosphorus,Sulfur and Silica. 43. 243-259 (1989)

[Publications] Kazuhiro Nakasuji: "Synthesis and Characterization of Phenalenyl Cations,Radicals,and Anions Having Donor and Acceptor Substituents" J.Am.Chem.Soc. 111. 9265-9267 (1989)

[Publications] Akira Imamura: "A Theoretical Study of the Ionized State of Polymers with the Localized Molecular Orbital Method" Bull.Chem.Soc.Jpn.,. 62. 979-984 (1989)

[Publications] Masato Suzuki: "Application of the Recursion Method to the Study of the End Effect on the Bond Length Asternation in Polyacetylene" Int.J.Quantum.Chem.,. 35. 613-628 (1989)

[Publications] Yuriko Aoki: "An Energyーdecomposition Technique for the Analysis of Band Structure and its Application to Polyphosphazene and its Halogenated Derivatives" J.Mol.Struct.(Theochem),. 188. 321-335 (1989)

[Publications] Takashi Ushio: "An Analysis of the Throughーbond Interaction Using the Localized Molecular Orbitals with ab initio CalculationsーV HOMO Energy Levels of Many Propellane Compounds" Tetrahedron. 45. 7743-7758 (1989)

[Publications] Shinichirou Hayashi: "A Study Using a Through Space/Bond Interaction Analysis for the Band Structures of Substituted PolyacetyleneーBe System" Synthetic Metals.

[Publications] Eijiro Watanabe: "A Study on Peierls Instability in QuasiーOneーDimensionalーSystem with InterchainーInteractionsーーSemiーEmpirical SelfーConsistent Field MO Approach" Bull.Chem.Soc.Jpn.,.

[Publications] Sinji Toyota: "Dissociation of the NーB Bond in the Coordinated Form of 2ー[2ー(Dimethylaminomethyl)Phenyl]ー4,4ーdiphenylー1,3,2ーdioxaborolane and Related Compounds" Bull.Chem.soc.Jpn. 63. (1990)

[Publications] S.Shinkai: "Autoaccelerative Diazo Coupling with Calix[4]arene:Unusual Coーoperativity of the Calixarene Hydroxy Groups" J.Chem.Soc.,Perkin Trans.1. 195-196 (1989)

[Publications] K.Araki: "Activation Paramaters for Clixarene Ring Inversion As Determined by ConputerーAssisted Spectrum Simulation" Chem.Lett.581-584 (1989)

[Publications] T.Arimura: "Formation of SolventーSeparated Ion Pairs in Calixarene EsterーAlkali Picrate Complexes" Bull.Chem.Soc.Jpn.62. 1674-1676 (1989)

[Publications] S.Shinkai: "New WaterーSoluble Calixarenes Bearing the Solphonate Groups on the“Lower Rim":Relations between the Calixarene Shape and the Binding Ability" J.Chem.Soc.,Perkin Trasns.1. 1073-1074 (1989)

[Publications] S.Shinkai: "DiazoーCoupling Reactions with Calix[4]arenes.pk_a Determination with Chromophoric Azocalix[4]arenes" Chem.Lett.931-934 (1989)

[Publications] S.Shinkai: "Ion Permeation through PolymerーSupported Steroidal Crown Membranes" J.Polym.Sci.,Polym.Lett.Ed.27. 209-213 (1989)

[Publications] Y.Ishikawa: "Formation of Calixarene Monolayers Which Selectively Respond to Metal Ions" J.Chem.Soc.,Chem.Commun.736-738 (1989)

[Publications] T.Arimura: "“Template Effects"on Calixarene Conformations through HostーGuest Interactions" Tetrahedron Lett.30. 2563-2566 (1989)

[Publications] S.Shinkai: "Molecular Recognition of CalixareneーBased Host Molecules" J.Inclusion Phenom.,Mol.Recog.Chem.7. 193-201 (1989)

[Publications] S.Shinkai: "CalixareneーCatalyzed Basic Hydrolysis of pーNitrophenyl Dodecanoate:A Posible Change in the Mechanism from“Deshielding"to“Hostーguest"" J.Am.Chem.soc.111. 5477-5478 (1989)

[Publications] S.Shinkai: "Selective Ion Permeation across Membranes Containing Crown Ethers with Steroid Moiteies" Macromol.Chem.,Rapid Commun. 10. 361-366 (1989)

[Publications] T.Arimura: "HostーGuest Properties of New Waterーsokuble Calixarenes Derived from pーChloromethylcalixarenes" J.Org.Chem.54. 3766-3768 (1989)

[Publications] S.Shinkai: "Selective Extraction and Transport of UO_2^<2+> with Calixareneーbased Uranophiles" J.Chem.Soc.,Perkin Trans.2. 1167-1171 (1989)

[Publications] S.Shinkai: "Cationic WaterーSoluble Calixarenes:New Host Molecules with Catalyse Basic Hydrolysis of a Phosphate Ester" J.Chem.Soc.,Perkin Trans.1. 1859-1860 (1989)

[Publications] I.Yoshida: "Solvent Extraction of Copper(II)Ion with pーtーButylcalix[6]arene from the Ammonia Alkaline Solution" Chem.Lett. 1535-1538 (1989)

[Publications] K.Araki: "On the Conformational Isomers in TetraーOーalkylcalix[4]arenes" Chem.Lett.1747-1750 (1989)

[Publications] S.Shinkai: "Specific inhibition of Flavin Catalyses by a“Molecular Hinge"" Tetrahedron Lett. 30. 5895-5898 (1989)

[Publications] S.Shinkai: "Syntheses and Aggregation Properties of New WaterーSoluble Calixarenes" J.Chem.Soc.,Perkin Trans.1. 2039-2045 (1989)

[Publications] S.Shinkai: "(2ーPyridymethoxy)calixarenes:New Versatile Ionophores for Metal Extraction" Bull.Chem.Soc.Jpn.62. 4055-4057 (1989)

[Publications] S.Shinkai: "NMR Determination of Association Constants for Aqueous Calixarene Complexes and Guest Template Effects on the Conformational Freedom" Bull.Chem.Soc.Jpn. 62. 3856-3862 (1989)

[Publications] Hiizu IWAMURA,Shigeru MURATA: "Magnetic Coupling of Two Triplet Phenylnitrene Units Joined through an Acetylenic or a Diacetylenic Linkage" Mol.Cryst.Liq.Cryst. 176. 33-48 (1989)

[Publications] R.OKAZAKI,M.TAKAHASHI,N.INAMOTO,T.SUGAWARA,H.IWAMURA: "Photoreation of 3ーAzidoー5,7ーdiーtertーbutylー2,1ーbenzisothiazole.Spectroscopic Detection of a Thionitroso Intermediate" Chemistry Lett.2083-2086 (1989)

[Publications] Noboru KOGA,Katsuya INOUE,Noriko SASAGAWA,Hiizu IWAMURA: "Magnetic Properties of Microcrystalline“Poly(phenylーdiacetylenes)"Carrying Radical or Carbene Center on the Side Chains" J.Materials Res.5. (1990)

[Publications] 岩村秀: "分子系におけるスピン整列ー有機強磁性体の分子設計" 応用物理. 58. 1061-1068 (1989)

[Publications] 古賀登,岩村秀: "フェニルメチレニル基を有するテトラフェニルボルフィリンおよびその亜鉛錯体の発生。ボルフィリン環を通してのジフェニルカルベン単位間の交換相互作用" 日本化学会誌. 1456-1462 (1989)

[Publications] Wataru Ando Takeshi Tsumuraya: "Themolysis of Cyslotrigermane:Simple Preparation of Digermetanes containing GermaniumーGermanium Bond" J.Chemical Society Chemical Communication. 12. 770-772 (1989)

[Publications] Norihiro Tokitoh Nami Choi,Midori Goto,Wataru Ando: "Formation of Cyclopentenethiones via Cyclization of Thioxallyl Cations" Journal of Organic Chemistry. 54. 4660-4663 (1989)

[Publications] Norihiro Goto,Tomoko Suzuki,Wataru Ando: "A Facile Synthesis and Novel Reactions of 1,2,3,4ーPentatetraene Episulfides" Tetrahedron Letters. 30. 4271-4274 (1989)

[Publications] Norihiro Tokito,Hitoshi Ishizuka,Akira Yabe,Wataru Ando: "Competititve Photochemical Decarogenation of 1,2,5ーThiadisenole" Tetrahedron Letters. 30. 2955-2958 (1989)

[Publications] Wataru Ando,Masahiro Kako,Takeshi Akasaka: "Formation of 1,2ーDioxolane in the Singlet Oxygenation of a SiliconーSilicon ーBond:Peroxonium Ion Intermediate" Tetrahedron Letters. 30. 6705-6708 (1989)

[Publications] 西本吉助: "分子設計のための量子化学" 講談社, 310 (1989)

[Publications] 新海征治: "包接化合物の基礎と応用" NTS, 32 (1989)

村田一郎大阪大学, 理学部, 教授 (90028077)