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  Home > JCE Print > Journal of Chemical Education > Issues > 2004  > July  >
In the Laboratory
Molecular Modeling Exercises and Experiments
Molecular Modeling of Non-Trivial Cyclohexane Derivatives: A Discovery Approach
Gail Horowitz
Department of Chemistry, Yeshiva University, New York, NY 10033
Cover
July 2004
Vol. 81 No. 7
p. 1006
Abstract
An experiment is described that utilizes molecular modeling to study the effects of sp2 hybridization, bond elongation, and heteroatom substitution upon the stabilities of the axial and equatorial conformers of cyclohexane. Students are faced with unfamiliar structural features: sp2 hybridized ring carbons or ring carbons that have been replaced with silicon or oxygen. This experiment features a discovery approach intended both to expand student thinking regarding conformational analysis, as well as to reinforce fundamental topics such as torsional strain, gauche interactions, and Newman projections. It is appropriate for first semester organic chemistry students who have already been exposed to the topic of the conformational analysis of alkanes and cycloalkanes.
Supplement
Implementation suggestions and a handout for the students are available.
*  Contents JCE2004p1006W.doc (Microsoft Word)
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*  Citation
 Horowitz, Gail. J. Chem. Educ. 2004 81 1006.
*  Keywords
 Collaborative / Cooperative Learning; Computational Chemistry; Inquiry-Based / Discovery Method; Molecular Properties / Structure; Organic Chemistry
*  History
 Created:
Last Updated:		 May 27, 2004
January 19, 2005
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