Dynamics of solid-molecules and the structure-function relationship

固体分子动力学和结构-功能关系

• 批准号: 07304074
• 负责人: OHASHI Yuji
• 金额: $ 2.75万
• 依托单位: Tokyo Institute of Technology
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (A)
• 财政年份: 1995
• 资助国家: 日本
• 起止时间: 1995 至 1996
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-07304074/
• 关键词: Molecular motion in solid; Dynamics; Phase transition; Proton transfer; Amorphous phase; Liquid crystal; X-ray analysis; Analysis of heat capacity; 分子運動; 固体分子; NMR; 熱運動

The following six research projects have been studied, keeping in contact with each other. (1) Proton transfer in solid. The relation between the p-electron system and the proton transfer in charge transfer complexes. The proton transfer in KH2P04 and ice theoretically and compared the calculation with the experiment of neutron diffraction. The proton transfer in cobaloxime complexes by single crystal neutron diffraction when they were irradiated with the xenon lamp. The mechanism of ferroelectricity. (2) Phase transition. The analysis of the heat capacity of the fullerren compounds. The heat capacity of p-polyphenyl mixed crystals. The structural change of organic radicals. Phase transition of one dimensional halogen-bridged metal complexes. Phase transition of water. (3) Molecular dynamics and reactivity. Complex formation between surfactants and aromatic compounds in a mortar and their structures. Radiation polymerization of DSP.(4) Anharmonic thermal vibration and hindered rotation. Relationship between molecular orbital and anharmonic vibration observed by X-ray analysis. Theoretical aspect of the hindered rotation of organic molecules. (5) Structure and function of liquid crystal and membrane. Analysis of molecular motion in liquid crystals by NMR.(6) Structure and molecular motion in amorphous materials. Analysis of structure of amorphous benzene an its relaxation by spectroscopy.

研究了以下六个研究项目，相互保持联系。(1)固体中的质子转移。电荷转移络合物中p电子体系与质子转移的关系。从理论上计算了质子在KH_2PO_4和冰中的迁移，并与中子衍射实验进行了比较。用单晶中子衍射研究钴肟配合物在氙灯照射下的质子转移。铁电性的机制。(2)相变。富勒烯化合物的热容分析。对聚苯混晶的热容。有机自由基的结构变化。一维卤素桥联金属配合物的相变。水的相变。(3)分子动力学和反应性。表面活性剂与芳香族化合物在砂浆中的复合物形成及其结构。DSP的辐射聚合。(4)非谐热振动和受阻转动。用X射线分析观察分子轨道与非简谐振动的关系。有机分子受阻旋转的理论方面。(5)液晶与膜的结构与功能。核磁共振分析液晶分子运动。(6)非晶材料的结构与分子运动。无定形苯的结构及其弛豫的光谱分析。

项目成果

Yoshiki Ohgo et al.: "Crysfalline-State Reaction of Cobaloxine Coyslizes,19. A New Mode of Raceainzation of the 1 Cyauethil Group." Bull.Chem.Soc.Jpn.69. 2425-2443 (1996)

Yoshiki Ohgo 等人：“Cobaloxine Coyslizes 的 Crysfalline 状态反应，19。1 Cyauethil Group 的种族化新模式。”

Iwasaki et al.: "Crystal and Molecular Structures of Novel Metal Carbenic Complexes II.Intenslty Measurement using Ragsd-X-tay Diffractowetegs" Bull.Chem.Soc.Jpn.69. 2749-2757 (1996)

Iwasaki 等人：“新型金属碳络合物的晶体和分子结构 II.使用 Ragsd-X-tay Diffractowetegs 进行强度测量”Bull.Chem.Soc.Jpn.69。

Keiji Sawada et al.: "Four Polywinphs of a Cobaloxiue Complix with Different Solid-Sfete Photoisomerization rates" Acfx Cryst allogrpbhica. B52. 303-313 (1996)

Keiji Sawada 等人：“具有不同固体安全光异构化速率的 Cobaloxiue 复合物的四种 Polywinphs”Acfx Cryst allogrpbhica。

Yoshii Sakai: "Crystal Strycture of [(S)-1, 2-Bis(allylpsycarbnyl)eehyl]bis-(diuethylglyoxiwats)[(R)-1-phay(elylamie)cobalt(III)" Analytical Sciences. 11. 873-874 (1995)

Yoshii Sakai：“[(S)-1, 2-Bis(allylpsycarbnyl)eehyl]bis-(diumethylglyoxiwats)[(R)-1-phay(elylamie)cobalt(III) 的晶体结构”分析科学。

Yuji Ohashi: "Analysis of a fast crystalline-State Reactinly a new Diffractometer desigued for rapid data collection" Journal of Molecular Stracture. 374. 37-42 (1996)

Yuji Ohashi：“快速结晶态反应的分析，一种为快速数据收集而设计的新型衍射仪”《分子结构杂志》。