Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 4. Examples of Discovery-Based Learning Using the Complete Cambridge Structural Database

被引:10
作者
Battle, Gary M. [1 ]
Allen, Frank H. [1 ]
Ferrence, Gregory M. [2 ]
机构
[1] CCDC, Cambridge CB2 1EZ, England
[2] Illinois State Univ, Dept Chem, Normal, IL 61790 USA
基金
美国国家科学基金会;
关键词
First-Year Undergraduate/General; Graduate Education/Research; Second-Year Undergraduate; Upper-Division Undergraduate; Chemoinformatics; Computer-Based Learning; Inquiry-Based/Discovery Learning; Internet/Web-Based Learning; X-ray Crystallography; NEUTRON-DIFFRACTION; BOND LENGTHS; X-RAY; EXERCISE; SUBSET; TABLES; ACID;
D O I
10.1021/ed1011025
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Parts 1 and 2 of this series described the educational value of experimental three-dimensional (3D) chemical structures determined by X-ray crystallography and retrieved from the crystallographic databases. In part 1, we described the information content of the Cambridge Structural Database (CSD) and discussed a representative teaching subset of ca. 500 CSD structures that have been selected for their educational relevance. In part 2, we exemplified the value of the CSD teaching subset by describing four worked examples of their use in a teaching context. Although the CSD teaching subset and its associated learning modules provide a major resource for chemical educators, there are many cases where the full CSD System is essential to make an educational point. In part 3, we describe the complete CSD System and its associated software and highlight the extended range of discovery-based learning opportunities this affords. Here, we illustrate a number of teaching examples that take advantage of the massive structural information content of the complete CSD System to broaden and enhance the chemical education experience, including, for example, studies of mean molecular dimensions, stereochemistry and conformations, metal coordination sphere geometries, hydrogen bonding and other supramolecular phenomena, and reaction pathways.
引用
收藏
页码:891 / 897
页数:7
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