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1996 Fiscal Year Final Research Report Summary

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)
Project Period (FY) 1994 – 1996
Keywordsorganic crystal / solid state reaction / crystal structure / phase transition / rapid X-ray structure analysis / time-resolved structure analysis / dynamic structure / crystal engineering
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.

  • Research Products

    (24 results)

All Other

All Publications (24 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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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

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Published: 1999-03-09  

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