Asymmetric Epoxidation: A Twinned Laboratory and Molecular Modeling Experiment for Upper-Level Organic Chemistry Students
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[1] Imperial College London
Imperial College London
Reino Unido
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- Localización: Journal of chemical education, ISSN 0021-9584, Vol. 92, Nº 8, 2015, págs. 1385-1389
- Idioma: inglés
- Texto completo no disponible (Saber más ...)
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Resumen
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.
