| Project/Area Number |
06242102
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| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
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| Allocation Type | Single-year Grants |
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| Research Institution | Osaka University |
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Principal Investigator |
KAI Yasushi Osaka University, Applied Chemistry, Prof., 工学部, 教授 (40029236)
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| 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)
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| Project Period (FY) |
1994 – 1996
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| Project Status |
Completed (Fiscal Year 1996)
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| 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)
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| Keywords | organic 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 |
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| 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.
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