ERIC Number: EJ1073061
Record Type: Journal
Publication Date: 2015-Aug
Abstractor: As Provided
Reference Count: 18
Asymmetric Epoxidation: A Twinned Laboratory and Molecular Modeling Experiment for Upper-Level Organic Chemistry Students
Hii, King Kuok; Rzepa, Henry S.; Smith, Edward H.
Journal of Chemical Education, v92 n8 p1385-1389 Aug 2015
The coupling of a student experiment involving the preparation and use of a catalyst for the asymmetric epoxidation of an alkene with computational simulations of various properties of the resulting epoxide is set out in the form of a software toolbox from which students select appropriate components. At the core of these are the computational spectroscopic tools, whereby a measured spectrum can be interpreted in some detail using theoretical simulations. These include a range of modern chiroptical methods to accompany the increased use of such techniques in modern teaching laboratories. Computational experiments are captured in a Wiki-based electronic laboratory notebook, which features data-stamping, authenticated entries, and inclusion of semantically intact data via interactive models rendered within the Wiki using JSmol and its referencing via a digital object identifier (DOI) to a digital data repository.
Descriptors: Organic Chemistry, Laboratory Experiments, Science Experiments, College Science, Science Instruction, Spectroscopy, Computation, Computer Uses in Education, Advanced Students, Undergraduate Students, Molecular Structure, Computer Simulation, Models
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: email@example.com; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Authoring Institution: N/A