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ERIC Number: EJ938992
Record Type: Journal
Publication Date: 2011-Jul
Pages: 9
Abstractor: As Provided
ISSN: ISSN-0021-9584
Using Molecular Modeling to Understand Some of the More Subtle Aspects of Aromaticity and Antiaromaticity
Box, Vernon G. S.
Journal of Chemical Education, v88 n7 p898-906 Jul 2011
pi-Electron delocalization exerts one of the most significant structure or energy influences in organic chemistry. Apart from determining the shapes of alkenes and alkynes, the planarity of aromatic molecules is a hallmark of pi-electron delocalization. Huckel's rules for aromaticity are easily applied in the teaching of undergraduates, but occasionally, some interesting discussions arise when questions are asked about some potentially aromatic nonbenzenoid molecules and antiaromaticity. Molecular modeling, using the X-ray crystallographic coordinate data for a representative sample of these interesting molecules, will lead to a greater understanding of just how these pi-systems achieve stability. (Contains 14 figures and 9 schemes.)
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:; Web site:
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A