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ERIC Number: EJ820910
Record Type: Journal
Publication Date: 2007-Dec
Pages: 3
Abstractor: As Provided
Reference Count: 10
ISBN: N/A
ISSN: ISSN-0021-9584
Computational Analysis of Stereospecificity in the Cope Rearrangement
Glish, Laura; Hanks, Timothy W.
Journal of Chemical Education, v84 n12 p2001-2003 Dec 2007
The Cope rearrangement is a highly stereospecific, concerted reaction of considerable synthetic utility. Experimental product distributions from the reaction of disubstituted 1,5-hexadienes can be readily understood by computer modeling of the various possible transitions states. Semi-empirical methods give relative energies of transition states that parallel those of more sophisticated methods at a fraction of the computational time. Visual analysis of computed transition-state geometries allow students to interpret the computational results by analogy to the familiar chair and boat conformations of substituted cyclohexanes. (Contains 2 figures and 2 tables.)
Division of Chemical Education of the American Chemical Society. Subscription Department, P.O. Box 1267, Bellmawr, NJ 08099-1267. Tel: 800-691-9846; Tel: 856-931-5825; Fax: 856-931-4115; e-mail: jchemed@egpp.com; Web site: http://www.jce.divched.org
Publication Type: Journal Articles; Reports - Descriptive
Education Level: N/A
Audience: Students; Teachers
Language: English
Sponsor: N/A
Authoring Institution: N/A