1992 年度実績報告書

分子設計の基礎と展開

研究課題

研究課題/領域番号	04299106
研究機関	大阪大学
研究代表者	村田一郎大阪大学, 名誉教授 (90028077)
研究分担者	安藤亘筑波大学, 化学系, 教授 (30008429) 竹内賢一京都大学, 工学部, 教授 (50026358) 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)
キーワード	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
研究概要	本研究は平成元年度より三年度迄の三年間に亘って行った重点領域研究「分子設計の基礎と展開」の成果取纏めのため行われたものである。研究成果取纏めは次の三点につき行った。 1.最終公開シンポジウムの開催:重点領域研究実施の三年間は各年度毎に2回づつの公開シンポジウムを開催し、全研究班員の成果発表とそれに関する討論を行ってきたが、今年度は最終の成果発表会として、各研究班より班長および班員1名を選び、総計12名による発表を下記のように行った、月日:平成4年11月30日(月)、12月1日(火)場所:東京都千代田区神田駿河台1-5、日本化学会館6階ホール。このシンポジウムには班員49名、評価班より長倉三郎教授、福井謙一教授の2名、また一般参加として大学関係20名、企業関係13名、計84名が出席し、2日間極めて活発な発表と討論が行われた。なお、評価班福井謙一教授より、3年間に亘る研究全般に亘って講評を頂いた。 2.研究成果報告書の作成:これ迄各年度毎の全班員の研究成果は、和文2頁、英文1頁で毎年作成したが、今年度は3年間の成果を英文6〜8頁に纏め、“Fundamentals and Evolution of Molecular Design"としてB5版456頁の報告書を作成し、班員並びに関係方面に配布した。 3.論文リストの作成:重点領域研究補助金で達成された班員の研究論文の全リストを作り、前記成果報告書末尾に印刷添付した。班員相互の共同研究論文は重複してリストアップされている為、実数は若干少くなるが、A01(131編)、A02(216編)、AO3(165編),AO4(136編)、AO5(126編)、AO6(108編)の計882編が、内外の一流学術雑誌に発表された。

研究成果

(39件)

すべてその他

すべて文献書誌 (39件)

[文献書誌] Y.Sugihara: "1-phenylthieno[3,4-d]borepine:A New 10π Electron System Isoelectronic with Azulene" J.Am.Chem.Soc.114. 1479-1481 (1992)
[文献書誌] Y.Sugihara: "[14π]Electrocyclization Followed by Preferential-[1,9]hydrogen Migration in the Thermolysis of 1-Formy1-4-[2,4,6-cycloheptatrienyl)(phenyl-sulfinyl)methyl]azulene." Bull.Chem.Soc.Jpn.65. 3198-3199 (1992)
[文献書誌] T.Nakazawa: "Acid-catalyzed Rearrangement of 2-Substituted and 2,4-Disubstituted 8H-3-oxaheptalen-8-ones to 1-AcyL-6-hydroxyazulenes." Tetrahedron Lett.33-43. 6487-6490 (1992)
[文献書誌] Y.Sugihara: "A.Novel Rearrangement in the Sterically Congested(2,4,6-Cycloheptatrienyl)(phenyl-sulfinyl)methyl Group." Chem.Lett.2393-2396 (1992)
[文献書誌] Y.Aoki,and A.Imamura: "A simple treatment to design NBMO degenerate systems in alternant and non-alternant hydrocarbons," Theoretica Chimica Acta,. 84. 155-180 (1992)
[文献書誌] S.Hayashi,and A.Imamura: "A study of the polarization reversal in poly(vinyl fluoride)using molecul ar orbtial calculations" J.Polym.Sci.Part B Polym.Phys.,. 30. 769-773 (1992)
[文献書誌] Y.Aoki,and A.Imamura: "Local density of states of aperiodic polymers using the localized orbital from ab initio elongation method" J.Chem.Phys.,. 97. 8432-8440 (1992)
[文献書誌] K.Maekawa,and A.Imamura: "Statioanry conditions of the electronic structure against the extension of molecular systems and their application to the elongation method" J.Chem.Phys.,.
[文献書誌] S.Toyota,M.Oki: "Structure of Intramolecular Boron-Amine Complexes and Proposal of Tetrahedral Character for Correlation between Molecular Structure and ..." Bull.Chem.Soc.Jpn.65. 1832-1840 (1992)
[文献書誌] S.Toyota,M.Oki: "Secondary Isotope Effect on Kinetic Basicity of Amine Ligands in Boron-Amine Complexes and Ammonium Salts" Bull.Chem.Soc.Jpn.65. 2215-2220 (1992)
[文献書誌] S.Toyota,M.Oki: "Structure of and Tetrahedral Character of the Boron Atom in 9-[2-(1-Ethylthiopentyl)phenyl]-9-borabicyclo[3.3.1]nonane" Bull.Chem.Soc.Jpn.65. 2857-2859 (1992)
[文献書誌] M.Oki,Y.Taguchi,S.Toyota: "Syntheses of and Restricted C- 3-C 2 Bond Rotation in Triptycenes That Carry^^<sp> C^^<sp>__4-Olefinic Substituent at 9-Position" Bull.Chem.Soc.Jpn.65. 2616-2623 (1992)
[文献書誌] S.Toyota,H.Yamane,M.Oki: "Absolute Stereochemistry of Dimethyl 9-(1,1-Dimethyl-2-phenylethyl)-9,10-dihydro-9,10-etheno-anthracene-11,12-dicarboxylate Rotamers" Bull.Chem.Soc.Jpn.66. 212-217 (1993)
[文献書誌] T.Nagasaki: "Novel Conformational Isomerism of Water-soluble Calix[4]arenes" Tetrahedron. 48. 797-804 (1992)
[文献書誌] T.Nagasaki: "Solvent Extraction of Transition Metal Cations by Calixarene-based Cyclic Ligands" Bull.Chem.Soc.Jpn.65. 471-475 (1992)
[文献書誌] A.Ikeda: "Calixarne-TCNE Complexes.On the Selective Complexation with Calix[4]arene Conformers" Tetrahedron. 48. 1059-1070 (1992)
[文献書誌] S.Shinkai: "Syntheses and Ion Selectivity of Conformational Isomers Derived from Calix[4]arene" J.Org.Chem.57. 1516-1523 (1992)
[文献書誌] H.Iki: "Synthesis and Spectral Characterization of Tricarbonylchromium Complexes of Calix[4]arene Conformers" J.Chem.Soc.,Perkin Trans.1. 669-671 (1992)
[文献書誌] K.Araki: "Acid Dissocition and Activation Parameters for Ring Inversion of Diaminocalix[4]arene" Chem.Lett.539-542 (1992)
[文献書誌] K.Fujimoto: "Synthesis and Crystallographic Studies of a Calix[4]arene with a 1,3-Alternate Conformation" J.Chem.Soc.,Perkin Trans.2. 643-648 (1992)
[文献書誌] T.Nagasaki: "¨Crowned Arborols¨" J.Chem.Soc.,Chem.Commun.608-610 (1992)
[文献書誌] K.Araki: "On the Origin of the Distal vs.Proximal Regioselectivity in Di-O-alkylation of Calix[4]arene" Chem.Lett.1095-1098 (1992)
[文献書誌] S.Shinkai: "Selective Ion Permeation across Membranes Prepared from Steroidal Crown Ethers" Israel J.Chem.32. 121-126 (1992)
[文献書誌] K.Iwamoto: "Fluorogenic Calix[4]arene" J.Chem.Soc.,Perkin Trans.1. 1885-1887 (1992)
[文献書誌] A.Ikeda: "Conformational Analysis of Calix[4]arenes with Chiral Substituents by Using Circular Dichroism" J.Phys.Org.Chem.5. 699-710 (1992)
[文献書誌] T.Kijima: "Intercalation of a Trimethylammoniomethylated Calix[4]arene by Cu(II)-Montmorillonite" Bull.Chem.Soc.Jpn.65. 2510-2513 (1992)
[文献書誌] A.Kameyama: "A New Electron Mediator:Reduction by Na_2S_2O_4 in Organic Media of a Novel Viologen Functionalized with Crown Ethers" J.Chem.Soc.,Chem.Commun.1058-1060 (1992)
[文献書誌] K.Iwamoto: "Synthesis and Ion Selectivity of All Possible Conformational Isomers of Tetraki(ethoxy-carbonylmethoxy)calix[4]arene" J.Ora.Chem.57. 7066-7073 (1992)
[文献書誌] A.Miyabo,T.Kitagawa,K.Takeuchi: "Significance of Steric Effect in the Heterolysis of Carbon-Carbon Bond in Ionically Dissocitive Hydrocarbons." Chem.Lett.,. 679-682 (1992)
[文献書誌] A.Miyabo,K.Takeuchi,K.Komatsu,and T.Kitagawa: "Small Difference in Cation Stability in Controlling the Formation of Hydrocarbon Salt or Covalent Hydrocarbon." Chme.Lett.,. 683-686 (1992)
[文献書誌] T.Kitagawa,K.Takeuch,K.Komatsu,and T.Kinoshita: "Synthesis and Properties of Hydrocarbon Salts and Ionically Dissociative Hydrocabons." J.Synth.Org.Chem.,Jpn.,. 50. 746-757 (1992)
[文献書誌] A.Miyabo,T.Kitagawa and K.Takeuchi: "Steric and Solvation Effects in the Heterolysis of Carbon-Carbon Sigma Bond in Hydrocarbons Giving Stable Carbocations and Carbanions." J.Org.Chem.,.
[文献書誌] W.Ando,T.Kadowaki,Y.Kabe,M.Ishil: "A Germanium Sesquisulfide,(tBuGe)_4S_6 without Adamantane structure" Angew.Chem.Int.Ed.Engl.31. 59-61 (1992)
[文献書誌] H.Yoshda,Y.Takahara,T.Erata,W.Ando: "Structure and Bonding Nature of 2,4,5-Trisila-1,3-disilabicyclo(1.1.1.1)pentane" J.Am.Chem.Soc.114. 1098-1100 (1992)
[文献書誌] W.Ando,F.Hojo,S.Sekigawa,N.Nakayama,T.Shimizu: "First Isolation of Six membered Cyclic Acetylene:Synthesis and Reaction of Tetrasilahexynes" Organometallics. 11. 1009-1011 (1992)
[文献書誌] 榊原章人,安藤亘: "ヘテロ原子(N,P,S)を含む環状ケイ素化合物の合成とその展開" 有機合成化学. 29. 899 (1992)
[文献書誌] S.Shinkai: "Crown Ethers and Analogous Compounds" Elsevier Press, 45 (1992)
[文献書誌] 新海征治: "生物有機化学" 日本放送出版協会, 14 (1992)
[文献書誌] 新海征治: "分離・輸送機能材料" 共立出版, 48 (1992)

1992 年度 実績報告書

分子設計の基礎と展開

研究代表者

村田 一郎 大阪大学, 名誉教授 (90028077)

研究成果

[文献書誌] Y.Sugihara: "1-phenylthieno[3,4-d]borepine:A New 10π Electron System Isoelectronic with Azulene" J.Am.Chem.Soc.114. 1479-1481 (1992)

[文献書誌] Y.Sugihara: "[14π]Electrocyclization Followed by Preferential-[1,9]hydrogen Migration in the Thermolysis of 1-Formy1-4-[2,4,6-cycloheptatrienyl)(phenyl-sulfinyl)methyl]azulene." Bull.Chem.Soc.Jpn.65. 3198-3199 (1992)

[文献書誌] T.Nakazawa: "Acid-catalyzed Rearrangement of 2-Substituted and 2,4-Disubstituted 8H-3-oxaheptalen-8-ones to 1-AcyL-6-hydroxyazulenes." Tetrahedron Lett.33-43. 6487-6490 (1992)

[文献書誌] Y.Sugihara: "A.Novel Rearrangement in the Sterically Congested(2,4,6-Cycloheptatrienyl)(phenyl-sulfinyl)methyl Group." Chem.Lett.2393-2396 (1992)

[文献書誌] Y.Aoki,and A.Imamura: "A simple treatment to design NBMO degenerate systems in alternant and non-alternant hydrocarbons," Theoretica Chimica Acta,. 84. 155-180 (1992)

[文献書誌] S.Hayashi,and A.Imamura: "A study of the polarization reversal in poly(vinyl fluoride)using molecul ar orbtial calculations" J.Polym.Sci.Part B Polym.Phys.,. 30. 769-773 (1992)

[文献書誌] Y.Aoki,and A.Imamura: "Local density of states of aperiodic polymers using the localized orbital from ab initio elongation method" J.Chem.Phys.,. 97. 8432-8440 (1992)

[文献書誌] K.Maekawa,and A.Imamura: "Statioanry conditions of the electronic structure against the extension of molecular systems and their application to the elongation method" J.Chem.Phys.,.

[文献書誌] S.Toyota,M.Oki: "Structure of Intramolecular Boron-Amine Complexes and Proposal of Tetrahedral Character for Correlation between Molecular Structure and ..." Bull.Chem.Soc.Jpn.65. 1832-1840 (1992)

[文献書誌] S.Toyota,M.Oki: "Secondary Isotope Effect on Kinetic Basicity of Amine Ligands in Boron-Amine Complexes and Ammonium Salts" Bull.Chem.Soc.Jpn.65. 2215-2220 (1992)

[文献書誌] S.Toyota,M.Oki: "Structure of and Tetrahedral Character of the Boron Atom in 9-[2-(1-Ethylthiopentyl)phenyl]-9-borabicyclo[3.3.1]nonane" Bull.Chem.Soc.Jpn.65. 2857-2859 (1992)

[文献書誌] M.Oki,Y.Taguchi,S.Toyota: "Syntheses of and Restricted C- 3-C 2 Bond Rotation in Triptycenes That Carry^^<sp> C^^<sp>__4-Olefinic Substituent at 9-Position" Bull.Chem.Soc.Jpn.65. 2616-2623 (1992)

[文献書誌] S.Toyota,H.Yamane,M.Oki: "Absolute Stereochemistry of Dimethyl 9-(1,1-Dimethyl-2-phenylethyl)-9,10-dihydro-9,10-etheno-anthracene-11,12-dicarboxylate Rotamers" Bull.Chem.Soc.Jpn.66. 212-217 (1993)

[文献書誌] T.Nagasaki: "Novel Conformational Isomerism of Water-soluble Calix[4]arenes" Tetrahedron. 48. 797-804 (1992)

[文献書誌] T.Nagasaki: "Solvent Extraction of Transition Metal Cations by Calixarene-based Cyclic Ligands" Bull.Chem.Soc.Jpn.65. 471-475 (1992)

[文献書誌] A.Ikeda: "Calixarne-TCNE Complexes.On the Selective Complexation with Calix[4]arene Conformers" Tetrahedron. 48. 1059-1070 (1992)

[文献書誌] S.Shinkai: "Syntheses and Ion Selectivity of Conformational Isomers Derived from Calix[4]arene" J.Org.Chem.57. 1516-1523 (1992)

[文献書誌] H.Iki: "Synthesis and Spectral Characterization of Tricarbonylchromium Complexes of Calix[4]arene Conformers" J.Chem.Soc.,Perkin Trans.1. 669-671 (1992)

[文献書誌] K.Araki: "Acid Dissocition and Activation Parameters for Ring Inversion of Diaminocalix[4]arene" Chem.Lett.539-542 (1992)

[文献書誌] K.Fujimoto: "Synthesis and Crystallographic Studies of a Calix[4]arene with a 1,3-Alternate Conformation" J.Chem.Soc.,Perkin Trans.2. 643-648 (1992)

[文献書誌] T.Nagasaki: "¨Crowned Arborols¨" J.Chem.Soc.,Chem.Commun.608-610 (1992)

[文献書誌] K.Araki: "On the Origin of the Distal vs.Proximal Regioselectivity in Di-O-alkylation of Calix[4]arene" Chem.Lett.1095-1098 (1992)

[文献書誌] S.Shinkai: "Selective Ion Permeation across Membranes Prepared from Steroidal Crown Ethers" Israel J.Chem.32. 121-126 (1992)

[文献書誌] K.Iwamoto: "Fluorogenic Calix[4]arene" J.Chem.Soc.,Perkin Trans.1. 1885-1887 (1992)

[文献書誌] A.Ikeda: "Conformational Analysis of Calix[4]arenes with Chiral Substituents by Using Circular Dichroism" J.Phys.Org.Chem.5. 699-710 (1992)

[文献書誌] T.Kijima: "Intercalation of a Trimethylammoniomethylated Calix[4]arene by Cu(II)-Montmorillonite" Bull.Chem.Soc.Jpn.65. 2510-2513 (1992)

[文献書誌] A.Kameyama: "A New Electron Mediator:Reduction by Na_2S_2O_4 in Organic Media of a Novel Viologen Functionalized with Crown Ethers" J.Chem.Soc.,Chem.Commun.1058-1060 (1992)

[文献書誌] K.Iwamoto: "Synthesis and Ion Selectivity of All Possible Conformational Isomers of Tetraki(ethoxy-carbonylmethoxy)calix[4]arene" J.Ora.Chem.57. 7066-7073 (1992)

[文献書誌] A.Miyabo,T.Kitagawa,K.Takeuchi: "Significance of Steric Effect in the Heterolysis of Carbon-Carbon Bond in Ionically Dissocitive Hydrocarbons." Chem.Lett.,. 679-682 (1992)

[文献書誌] A.Miyabo,K.Takeuchi,K.Komatsu,and T.Kitagawa: "Small Difference in Cation Stability in Controlling the Formation of Hydrocarbon Salt or Covalent Hydrocarbon." Chme.Lett.,. 683-686 (1992)

[文献書誌] T.Kitagawa,K.Takeuch,K.Komatsu,and T.Kinoshita: "Synthesis and Properties of Hydrocarbon Salts and Ionically Dissociative Hydrocabons." J.Synth.Org.Chem.,Jpn.,. 50. 746-757 (1992)

[文献書誌] A.Miyabo,T.Kitagawa and K.Takeuchi: "Steric and Solvation Effects in the Heterolysis of Carbon-Carbon Sigma Bond in Hydrocarbons Giving Stable Carbocations and Carbanions." J.Org.Chem.,.

[文献書誌] W.Ando,T.Kadowaki,Y.Kabe,M.Ishil: "A Germanium Sesquisulfide,(tBuGe)_4S_6 without Adamantane structure" Angew.Chem.Int.Ed.Engl.31. 59-61 (1992)

[文献書誌] H.Yoshda,Y.Takahara,T.Erata,W.Ando: "Structure and Bonding Nature of 2,4,5-Trisila-1,3-disilabicyclo(1.1.1.1)pentane" J.Am.Chem.Soc.114. 1098-1100 (1992)

[文献書誌] W.Ando,F.Hojo,S.Sekigawa,N.Nakayama,T.Shimizu: "First Isolation of Six membered Cyclic Acetylene:Synthesis and Reaction of Tetrasilahexynes" Organometallics. 11. 1009-1011 (1992)

[文献書誌] 榊原 章人,安藤 亘: "ヘテロ原子(N,P,S)を含む環状ケイ素化合物の合成とその展開" 有機合成化学. 29. 899 (1992)

[文献書誌] S.Shinkai: "Crown Ethers and Analogous Compounds" Elsevier Press, 45 (1992)

[文献書誌] 新海 征治: "生物有機化学" 日本放送出版協会, 14 (1992)

[文献書誌] 新海 征治: "分離・輸送機能材料" 共立出版, 48 (1992)

1992 年度実績報告書

村田一郎大阪大学, 名誉教授 (90028077)

[文献書誌] 榊原章人,安藤亘: "ヘテロ原子(N,P,S)を含む環状ケイ素化合物の合成とその展開" 有機合成化学. 29. 899 (1992)

[文献書誌] 新海征治: "生物有機化学" 日本放送出版協会, 14 (1992)

[文献書誌] 新海征治: "分離・輸送機能材料" 共立出版, 48 (1992)