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The Mechanism of Structure Phase Transition of Hydrogen Bonding Materials by High Pressure X-Ray Diffraction

高压X射线衍射研究氢键材料结构相变机理

基本信息

批准号：
07640455
负责人：
KASATANI Hirofumi
金额：
$ 1.22万
依托单位：
Shizuoka Institute of Science and Technology
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
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-07640455/
关键词：
High Pressure X-Ray Diffraction,Hydrogen Bonding Materials,n-alkyl Ammonium Dihydrogen Phosphate,Even and Odd Effect,Crystal Structure Analysis at Room Temperature 構造相転移

项目摘要

(a) High Pressure X-Ray Diffraction and Crystal Structure of K_3D (SO_4)_2A diamond-anvil pressure cell for x-ray diffraction of single crystals was made on an experimental basis. The precise X-ray structure analysis of K_3D (SO_4)_2 single crystal under high pressure were tried. We collected integrated intensities from the 30% of reciprocal lattice spqce at room temperature under the condition of high pressure. The following results were made clear. (1) A drastic change of the crystal structure in K_3D (SO_4)_2 crystal was not observed at pressures below about 3GPa. (2) The length of hydrogen bond was contracted as function of pressure. But, these results and the distribution of electron density of D-atom had large error. Now, we plan the structure analysis of K_3D (SO_4)_2 single crystal at high pressure with high energy X-ray in SOR (SPring-8).(b) Even and Odd Effect and Crystal Structure in C_nH_<2n+1>NH_3H_2PO_4 Crystals.In order to clarify the even and odd effect in n-alkyl ammon … More ium dihydrogen phosphate C_nH_<2n+1>NH_3H_2PO_4 (abbreviated as CnADP) crystals, we carried out the x-ray crystal structure analysis in CnADP (n=2-6) single crystals at room temperature. Yhe following results were made clear. (1) CnADP (n=2-6) crystals belong a monoclinic system with space group of P2_1/n (Z=8). (2) The crystal structure of CnADP (n=2-6) crystals are characterized by an arrangement of anti-parallel planar organic chains along b-axis interdistributed with inorganic units. (3) The overlap of n-alkyl group increase with increasing carbon atoms. It was considered that the length between the end carbon atom in the n-alkyl group and the nitrogen atom in the another n-alkyl ammonium group was kept constant. (4) In the case of CnADP (n=2,4 and 6) crystals, which was the even number of the carbon atom in n-alkyl group, the zigzag structure of the n-alkyl group was overlapped in parallel and fill the space with each other. On the other hand, in the case of CnADP (n=3 and 5) crystals, which was the odd number of the carbon atom in n-alkyl group, the zigzag structure of the n-alkyl group was overlapped just like clash. It was concluded that this difference was the origin of the even and odd effect. Less

(a)实验得到了K_3D (SO_4)_2A金刚石单晶x射线衍射的高压x射线衍射和晶体结构。对K_3D (SO_4)_2单晶在高压下进行了精确的x射线结构分析。在高压条件下，从30%的倒易晶格空间中采集了室温下的积分强度。下面的结果是明确的。(1)在3GPa以下的压力下，K_3D (SO_4)_2晶体结构没有发生明显变化。(2)氢键长度随压力的变化而收缩。但是，这些结果与d原子的电子密度分布存在较大误差。现在，我们计划在SOR （SPring-8）中利用高能x射线分析高压下K_3D (SO_4)_2单晶的结构。(b) C_nH_<2n+1>NH_3H_2PO_4晶体的奇偶效应和晶体结构。为了弄清磷酸二氢铵C_nH_<2n+1>NH_3H_2PO_4（简称CnADP）晶体中的偶奇效应，在室温下对CnADP （n=2-6）单晶进行了x射线晶体结构分析。下面的结果很清楚。(1) CnADP （n=2 ~ 6）晶体属于单斜晶系，空间群为P2_1/n （Z=8）。(2) CnADP （n=2-6）晶体结构为沿b轴反平行排列的平面有机链，其间穿插无机单元。(3)正烷基的重叠随着碳原子的增加而增加。认为n-烷基端碳原子与另一个n-烷基铵端氮原子之间的长度保持不变。(4) CnADP （n=2、4、6）晶体为正烷基碳原子偶数时，正烷基之字形结构平行重叠，相互填充空间。另一方面，在CnADP （n=3和5）晶体中，n-烷基碳原子为奇数时，n-烷基的锯齿状结构像碰撞一样重叠。由此得出结论，这种差异是奇偶效应的根源。少