Conformational analysis
Conformational Analysis, Modeling, Stereochemistry and Optical Activity of Cyclohexane Derivatives
Journal:
Journal of Laboratory Chemical Education
Year:
2013
Volume:
3
Pages:
39-44
Abstract:
Cyclohexane derivative stability is investigated using a combination of molecular modeling kits, conformational analysis, computational chemistry and polarimetry. Students build selected mono- and disubstituted cyclohexanes using model kits, predict the most stable conformation and calculate conformational equilibria. Students also construct cis-1,2-dimethylcyclohexane and trans-1,2-dimethylcyclohexane using the Avogadro computational chemistry program, optimize the structures and confirm the lowest energy conformations. Students utilize a polarimeter to measure the optical activity of several unknown cyclohexane derivatives and identify them from a list of possible (±) menthol and (±) carvone stereoisomers.
URL for article at publisher's site:
MolView
Description:
A site for drawing 2D and 3D structures online. It looks like it will be useful for students, but read the comments under Read More when the warning "The resolved 3D structure can sometimes be inaccurate" appears. It explains when and why the structure might be incorrect. It also explains how to fix potential problems.
CheMagic JSmol Molecular Model Kit
Description:
This very sophisticated page developed by Otis Rothenberger gives you all the presence of a physical molecular model but with all sorts of additional features. These additional features include the ability to search and load molecules from the protein data bank, PubChem, or the NIH/NCI Chemical Identifier resolver.
JavaScript version of Jmol demonstration page
Description:
This page is a simple page demonstrating what can be done using basic Jmol commands but uses JavaScript instead. It is somewhat more limited than the Java version.
Simple Jmol demonstration page
Description:
A simple page demonstrating what can be done using basic Jmol commands. Bob Hanson uses this page in his class. It is set to use Java, which is no problem for classroom demonstrations (and which I only need for the NMR prediction demo). If you need the equivalent in JavaScript because you are using an iPad, use http://chemapps.stolaf.edu/jmol/simple2.htm?USE=HTML5 instead. It is somewhat more limited.