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Analysis of reaction in Organic Crystals

Research Project

Project/Area Number 06242102
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Research InstitutionOsaka University

Principal Investigator

KAI Yasushi  Osaka University, Applied Chemistry, Prof., 工学部, 教授 (40029236)

Co-Investigator(Kenkyū-buntansha) KITAURA Kazuo  Osaka Prefecture University, Colledge of Integrated Arts and Sciences, Materials, 総合科学部, 教授 (30132723)
HIROTSU Ken  Osaka City University, Chemistry, Prof., 理学部, 教授 (10047269)
OKUYAMA Kenji  Tokyo University of Agriculture and Technology, Polymer eng.Prof., 工学部, 教授 (30038020)
IWASAKI Fujiko  Electro-Communications University, Electro-Communications, Prof., 電気通信学部, 教授 (10017329)
OHASHI Yuji  Tokyo Institute of Technology, Chemistry, Prof., 理学部, 教授 (40016118)
青山 安宏  九州大学, 有機化学基礎研究センター, 教授 (00038093)
Project Period (FY) 1994 – 1996
Project Status Completed (Fiscal Year 1996)
Budget Amount *help
¥152,600,000 (Direct Cost: ¥152,600,000)
Fiscal Year 1996: ¥42,900,000 (Direct Cost: ¥42,900,000)
Fiscal Year 1995: ¥54,600,000 (Direct Cost: ¥54,600,000)
Fiscal Year 1994: ¥55,100,000 (Direct Cost: ¥55,100,000)
Keywordsorganic crystal / solid state reaction / crystal structure / phase transition / rapid X-ray structure analysis / time-resolved structure analysis / dynamic structure / crystal engineering / 特殊条件下での構造解析 / 光照射下での固相反応 / 試料低温装置 / 分子配列 / 2次元結晶 / フォトクロミズム / 高温相の構造 / 動的構造解析 / 動的反応解析 / 結晶構造予測
Research Abstract

In order to analyze the chemical reactions occur in the organic crystals, we have proceeded the structural studies on the various types of solid state reactions by means of X-ray crystal structure analysis, thermalanalysis, theoretical calculation, crystallization and so on. Among the many projects in our group, the development of the diffractometers were especially important for the analysis of the dynamic structural changes in the crystal ttice by the time-resolved diffraction experiments. One of the diffractometers we have developed is the imaging plate two-dimensional diffractometer with temperature control equipment. Another one is a gas-amplification type detector (MSGC) with the area size of 50x50mm and resolution time of 20 msec for one flame of diffraction pattern. 250 flames of diffraction patterns are possible to be accumulated in the memory at once, a time-resolution will be greatly improved by the use of this detector. The practical results for the dynamic structural analysis in the organic crystals are, solid state polymerization in diacethylenylbenzene derivatives, crystalline-state racemization reaction in the cobaloxime complexes with the axial ligand of methyoxycarbonylethyl, racemization of the chiral crystals of cumarin and tartaric acid complexes, phase transition of N- (2,4-dinitrophenyl) -o-anisidine, structure transition of nucleotide crystal coupled with the deletion and addition of crystalline waters, and so on. Moreover, new calculation method was developed in the form of the potential function of ab initio pair-approximation, which is included in the new computer program for public use.

Report

(4 results)
  • 1996 Annual Research Report   Final Research Report Summary
  • 1995 Annual Research Report
  • 1994 Annual Research Report
  • Research Products

    (48 results)

All Other

All Publications (48 results)

  • [Publications] C.Li,Y.Go,Z.Mao,K.Koyano,Y.Kai,N.Kanehisa,Q.Zhu,Z.Zhou,and S.Wu: "The Synthesis,Antileukemic Activity,and Crystal Structures of Indirubin Derivatives" Bull.Chem.Soc.Jpn.69. 1621-1627 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Kai,H.Suzuki,N.Kanehisa,K.Tanaka,and F.Toda: "Diverse Mode of Crystal Structure in the Host-Guest Complexes of Diols" Mol.Cryst.Liq.Cryst.279. 87-97 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Ohashi and H.Uekusa: "Analysis of a fast crystalline-state reaction by a new diffractometer designed for rapid data collection" J.Mol.Struc.374. 37-42 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Swada,D.Hashizume,A.Sekine,H.Uekusa,K.Kato,Y.Ohashi,K.Kakinuma and Y.Ohashi: "Four Plymorphs of a cobaloxime complex different solid-state photoisomerization rates" Acta Cryst.B52. 303-313 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Ichikawa,J.Washiyama,Y.Moteki,K.Noguchi and K.Okuyama: "Crystal Modification in Poly(ethylene succinate)" Polymer J.27. 1230-1238 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Okuyama,N.Kawano,S.Uehori,K.Noguchi,N.Okabe,Y.Suzuki and I.Kawamura: "Bilayered Super-Structures of Antiferroelectric Mesogens" Mol.Cryst.and Liq.Cryst.276. 193-201 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] A.Ishii,T.Ishida,N.Kumon,N.Hukuda,H.Oyama,N.Inamoto,F.Iwasaki and R.Okazaki: "Synthesis,Structure,and Some Reactions of(2,4,6-Tri-t-butyl)thio benzoaldehyde,the First Stable Aromatic Thioaldehyde" Bull.Chem.Soc.Jpn.69. 709-717 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] N.Manabe,M.Yasui,H.Nishiyama,S.Shimamoto,N.Matsumura and F.Iwasaki: "Crystal and Molecular Structures Novel Metal-Carbene Complexes IV Effect of Carbonyl Groupes and Reaction Mechanism" Bull.Chem.Soc.Jpn.69. 2771-2780 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Akutsu,I.Miyahara,K.Hirotsu,H.Miyamoto,N.Maruyama,S.Kikuchi,and F.Toda: "Enantioselective inclusion complexation by the chiral host and triplet carbene as studied by ESR and X-ray crystal analysis of the Diazo Precursor" Mol.Cryst.Liq.Cryst.277. 87-93 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Koshima,Y.Wang,T.Matsuura,H.Mizutani,H.Isako,I.Miyahara,and K.Hirotsu: "Two-molecule crystals between nitroanilines and nitrophenols" Mol.Cryst.Liq.Cryst.279. 265-274 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Kinugawa and K.Kitaura: "Ion Dynamics of Alkali Chloride Systems in Supercooled and Glassy State:Analysis of Inherent Structures" Mol.Sim.16. 69-70 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Yamamoto,H.Sonobe,H.Matsubara,M.Sato,S.Okamoto and K.Kitaura: "Convenient New Synthesis of[7]Circulene" Angew.Chem.35. 69-70 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Li, Y.Go, Z.Mao, K.Koyano, Y.Kai, N.Kanehisa, Q.Zhu, Z.Zhou, and S.Wu: "The Synthesis, Antileukemic Activity, and Crystal Structures of Indirubin Derivatives" Bull.Chem.Soc.Jpn.69. 1621-1627 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Kai, H.Suzuki, N.Kanehisa, K.Tanaka, and F.Toda: "Diverse Mode of Crystal Structure in the Host-Guest Complexes of Diols" Mol.Cryst.Liq.Cryst.279. 87-97 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Ohashi and H.Uekusa: "Analysis of a fast crystalline-state reaction by a new diffractometer designed for rapid data collection" J.Mol.Struc.374. 37-42 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Swada, D.Hashizume, A.Sekine, H.Uekusa, K.Kato, Y.Ohashi, K.Kakinuma and Y.Ohashi: "Four Plymorphs of a cobaloxime complex different solid-state photoisomerization rates" Acta Cryst.B52. 303-313 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Ichikawa, J.Washiyama, Y.Moteki, K.Noguchi and K.Okuyama: "Crystal Modification in Poly (ethylene succinate)" Polymer J.27. 1230-1238 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Okuyama, N.Kawano, S.Uehori, K.Noguchi, N.Okabe, Y.Suzuki and I.Kawamura: "Bilayred Super-Structures of Antiferroelectric Mesogens" Mol.Cryst.and Liq.Cryst.276. 193-201 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] A.Ishii, T.Ishida, N.Kumon, N.Hukuda, H.Oyama, N.Inamoto, F.Iwasaki and R.Okazaki: "Synthesis, Structure, and Some Reactions of (2,4,6-Tri-t-butyl) thio benzoaldehyde, the First Stable Aromatic Thioaldehyde" Bull.Chem.Soc.Jpn.69. 709-717 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] N.Manabe, M.Yasui, H.Nishiyama, S.Shimamoto, N.Matsumura and F.Iwasaki: "Crystal and Molecular Structures Novel Metal-Carbene Complexes IV.Effect of Carbonyl Groupes and Reaction Mechanism" Bull.Chem.Soc.Jpn.69. 2771-2780 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Akutsu, I.Miyahara, K.Hirotsu, H.Miyamoto, N.Maruyama, S.Kikuchi, and F.Toda: "Enantioselective inclusion complexation by the chiral host and triplet carbene as studied by ESR and X-ray crystal analysis of the Diazo Precursor" Mol.Cryst.Liq.Cryst.277. 87-93 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Koshima, Y.Wang, T.Matsuura, H.Mizutani, H.Isako, I.Miyahara, and K.Hirotsu: "Two-molecule crystals between nitroanilines and nitrophenols" Mol.Cryst.Liq.Cryst.279. 265-274 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Kinugawa and K.Kitaura: "Ion Dynamics of Alkali Choloride systems in Supercooled and Glassy State : Analysis of Inherent Structures" MOl.Sim.16. 69-70 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Yamamoto, H.Sonobe, H.Matsubara, M.Sato, S.Okamoto and K.Kitaura: "Convenient New Synthesis of [7] Circulene" Angew.Chem.35. 69-70 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Li,Y.Go,Z,Mao,K.Koyano,Y.Kai,N.Kanehisa,Q.Zhu,Z.Zhou,and S.Wu: "The Synthesis,Antileukemic Activity,and Crystal Structures of Indirubin Derivatives" Bull.Chem.Soc.Jpn.,. 69. 1621-1627 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Kai,H.Suzuki,N.Kanehisa,K.Tanaka,and F.Toda: "Diverse Mode of Crystal Structure in the Host-Guest Complexes of Diols" Mol.Cryst.Liq.Cryst.,. 279. 87-97 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Ohashi and H.Uekusa: "Analysis of a fast crystalline-state reaction by a new diffractometer designed rapid data collection" J.Mol.Struc.374. 37-42 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Swada,D.Hashizume,A.Sekine,H.Uekusa,K.Kato,Y.Ohashi,K.Kakinuma and Y.Ohashi: "Four Plymorphs of a cobaloxime complex different solid-state photoisomerization rates" Acta Cryst.B52. 303-313 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Ichikawa,J.Washiyama,Y.Moteki,K.Noguchi and K.Okuyama: "Crystal Modification in Poly(ethylene succinate)" Polymer J.,. 27. 1230-1238 (1995)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Okuyama,N.Yawano,S.Uehori,K.Noguchi,N.Okabe,Y.Suzuki and I.Kawamura: "Bilayered Super-Structures of Antiferroelectric Mesogens" Mol.Cryst.and Liq.Cryst.,. 276. 193-201 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A.Ishii,T.Ishida,N.Kumon,N.Hukuda,H.Oyama,N.Inamoto,F.Iwasaki and R.Okazaki: "Synthesis,Structure,and Some Reactions of(2,4,6-Tri-t-butyl)thio benzoaldehyde,the First Stable Aromatic Thioaldehyde" Bull.Chem.Soc.Jpn.,. 69. 709-717 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] N.Manabe,M.Yasui,H.Nishiyama,S.Shimamoto,N.Matsumura and F.Iwasaki: "Crystal and Molecular Structures Novel Metal-Carbene Complexes IV Effect of Carbonyl Groupes and Reaction Mechanism" Bull.Chem.Soc.Jpn.,. 69. 2771-2780 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Akutsu,I.Miyahara,K.Hirotsu,H.Miyamoto,N.Maruyama,S.Kikuchi,and F.Toda: "Enantioselective inclusion complexation by the chiral host and triplet carbene as studied by ESR and X-ray crystal analysis of the Diazo Precursor" Mol.Cryst.Liq.Cryst.,. 277. 87-93 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Koshima,Y.Wang,T.Matsuura,H.Mizutani,H.Isako,I.Miyahara and K.Hirotsu: "Two-molecule crystals between nitroanilines and nitrophenols" Mol.Cryst.Liq.Cryst.,. 279. 265-274 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Kikuchi and Y.Aoyama: "CH-π Interaction as Important Driving Force of Host-Guest Complexation" Bull.Chem.Soc.Jpn.,. 69. 217-220 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Kikuchi and Y.Aoyama: "Interaction of Achiral Host and Guest in a Chiral Solvent as Studies by circular Dichroism Spectroscopy" Supramolecular.Chem.,. 7. 147-152 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K. Hirotsu,: "2) Solid State Photoaddition Reactions in Polycrystaline Mixtures of NH Heteroatomic Compounds and trans-stilbene" J. Photochem. Photobiol. A: Chemistry,. 85. 225-229 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K. Okuyama: "Recent Structural Studies of Peptides in Japan" Biopolymers(Peptide Science). 40. 85-103 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] Toro Yamada:"Crystalline-State trans-cis Photoisomerization of (trans-2-Butyl) bis (dimethylglyoximato)(pyridine) cobalt (III)" Chem. Lett.187-188 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Yuji Ohashi:"Analysis of a fast crystalline-state reaction by a new diffractometer designed for rapid data collection" J. Mol. Struc.:. 374. 37-42 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] M. Yasui,: "Structures of Bis (phenylthio / seleno) dibenzothio / selenophenes with Short Intramolecular S...S and Se...Se Contacts," Bull. Chem. Soc. Jpn.,. 68. 744-751 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] F. Iwasaki,: "Deformation Electron-density Distributions of Tetraazathiapentalenes with Hypervalent S-N Bonds," J. Mol. Struct.,. 352/353. 203-212 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Hajime Yasuda: "Reaction covrses for formation of early transition metal phenoxides" Journal of Organometallic Chemistry. 473. 105-116 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] Yuji Ohashi: "Optical Enrichment of Chiral Racemic Crystals on Exposure to Visible right" Molecular Crystals and Liguid Crystals. 242. 109-117 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] 奥山 健二: "合成二分子膜の結晶構造" 日本結晶学会誌. 36. 14-18 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] 奥山 健二: "合成脂質における多形現象" 表面. 32. 612-617 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] Fujiko Iwasaki: "Crystal and Molecular Structures of Bismuth Compounds of a spiro-o-sulfurane Type" Acta Crystallography. B50. 151-157 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] Fumio Toda: "Role of Methanal in Chiral Combination of Host-Guest Moleculess in the Inclusion Crystal:Structure Determination by X-ray Crystallography" Journal of the Chemical Society.,chemical Communications. 1795-1796 (1994)

    • Related Report
      1994 Annual Research Report

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Published: 1994-04-01   Modified: 2016-04-21  

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