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ERIC Number: EJ1013556
Record Type: Journal
Publication Date: 2013-Apr
Pages: 7
Abstractor: As Provided
Reference Count: 11
ISBN: N/A
ISSN: ISSN-0021-9584
Using Extended Huckel Theory as a Platform to Introduce Jahn-Teller Distortion: The Spontaneous Distortion of 1,3,5,7-Cyclooctatetraene from a Perfect Octagon
Sohlberg, Karl; Liu, Xiang
Journal of Chemical Education, v90 n4 p463-469 Apr 2013
Herein, a slightly enhanced version of extended Huckel molecular orbital theory is applied to demonstrate the spontaneous distortion of 1,3,5,7-cyclooctatetraene from a perfect octagon, a consequence of the Jahn-Teller effect. The exercise is accessible to students who have been introduced to basic quantum mechanics and extended Huckel molecular orbital theory and is easily implemented with widely available algebraic manipulation software such as Maple or Mathematica. This exercise is suitable for inclusion in the physical chemistry curriculum at the upper-level undergraduate or introductory graduate level. (Contains 7 figures.)
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: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A