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

Abstract

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.

Service Learning Opportunity for Undergraduate Science Students: Integrating Problem-Based Learning in the High School Science Curriculum

“…The conversion to a permanent course with enrollment restricted to fourth year students opens new possibilities for the course to broaden investigations to include active learning pedagogies beyond PBL. Creation of teaching and learning materials for introductory level undergraduate courses is also now a possibility, where inquiry − or discovery-based − pedagogies might be more readily applied. The use of digital media to facilitate remote interactions between the university and high schools is another topic of great interest.…”

Computer-Aided Identification of Symmetry Relating Groups of Molecules

“…33 MERCURY also readily links to the curated CSD Teaching Database. [34][35][36][37] The program features facile point-and-click generation of centroids and lines between atoms. Any other program that facilitates these operations would also be serviceable.…”

“…The program interfaces well with the Cambridge Structural Database (CSD) , and can be used to create a nearly endless supply of exercises in the manner described below, which capitalizes on the power of using databases when teaching chemistry . MERCURY also readily links to the curated CSD Teaching Database. − The program features facile point-and-click generation of centroids and lines between atoms. Any other program that facilitates these operations would also be serviceable.…”

Distortions and Deformations of Metaled Meso-Substituted and Unsubstituted Porphyrins and Derivatives in Crystal Structures

“…we use computational tools and study experimental data) and appeal to softwares, especially ConQuest, Mercury and Vista, developed by Cambridge Crystallographic Data Centre (CCDC) for the handling of Cambridge Structural Database [27]- [29].…”