University Chemistry ›› 2024, Vol. 39 ›› Issue (3): 23-28.doi: 10.3866/PKU.DXHX202303003
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Yuqiao Zhou, Weidi Cao, Shunxi Dong, Lili Lin, Xiaohua Liu(
)
Received:2023-03-01
Accepted:2023-05-18
Published:2023-07-06
Contact:
Xiaohua Liu
E-mail:liuxh@scu.edu.cn
Yuqiao Zhou, Weidi Cao, Shunxi Dong, Lili Lin, Xiaohua Liu. Study on the Teaching Reformation of Practical X-ray Crystallography[J].University Chemistry, 2024, 39(3): 23-28.
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| 教学目标 | 知识目标 | 1. | 掌握进行结构解析必需的晶体学基础知识 |
| 2. | 理解X射线特性和X射线衍射基本原理 | ||
| 3. | 理解X射线衍射仪结构解析软件运行原理 | ||
| 能力目标 | 1. | 熟练掌握X射线衍射仪使用方法收集高质量数据 | |
| 2. | 熟练运用软件解析晶体结构 | ||
| 3. | 学会分析判断结构常见问题并发表结构 | ||
| 情感价值目标 | 树立学生面对X射线单晶衍射测试和结构解析的信心 | ||
| 课堂教学大纲 | X射线原理 | 1. | X射线的产生、强度、吸收和选择 |
| 2. | 散射因子与X射线衍射几何 | ||
| 3. | 结构因子与相角问题 | ||
| 简明晶体学 | 1. | 格子与点阵,Bravais格子 | |
| 2. | 对称性操作 | ||
| 3. | 晶系、点群与空间群 | ||
| 结构解析技术 | 1. | 单晶培养技术和晶体选择 | |
| 2. | X射线衍射仪的发展历程 | ||
| 3. | Bruker APEX操作软件使用介绍 | ||
| 4. | 基于Bruker平台的SHELXTL程序讲解 | ||
| 5. | 如何判断结构可以发表 | ||
| 6. | 走进晶体学信息文件CIF | ||
| 7. | 氢原子相关问题 | ||
| 8. | “电子皆蓝色”——无序结构处理简介 | ||
| 9. | 简单孪晶数据处理方法 |
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| 4 | Sheldrick, G. M..Acta Crystallogr.2008,A64,112. |
| 5 | Spek, A. L..Appl. Cryst.2009,36,7. |
| 6 | Spek, A. L..Acta Crystallogr.2009,D65,148. |
| 7 | Zhu, H. G.; Yang, G.; Chen, X. M.; Ng, S. W..Acta Cryst.2000,C56,e430. |
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Vishweshwar, P.; McMahon, J. A.; Oliveira, M.; Peterson, M. L.; Zaworotko, M. J..J. Am. Chem. Soc.2005,127,16802.
doi: 10.1021/ja056455b |
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Lou, B.; Boström, D.; Velaga, S. P..Cryst. Growth Des.2009,9,1254.
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