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  Home > JCE Print > Journal of Chemical Education > Issues > 1997  > November  >
Research: Science and Education
Pi-Electron Delocatlization in Organic Molecules with C-N Bonds
Vernon G. S. Box and Hing Wan Yu
The City College, Department of Chemistry, The City University of New York, Convent Avenue at 138th Street, New York, NY 10031
Cover
November 1997
Vol. 74 No. 11
p. 1293
Abstract
Molecular modeling can provide great stimulation to the pedagogical process if students and teachers use this tool to examine the structural aspects of organic molecules whose structures have been determined by X-ray crystallography. An example of this is provided by one of our undergraduate research projects that examined delocalization in p-systems. The experimentally determined X-ray crystallographic coordinate data of molecules that possess conjugated p-systems provide bond length data that can unequivocally confirm, or deny, the existence of delocalized p-electrons in these p-systems. The presence of delocalized p-electrons in the ground state of a molecule that possesses a conjugated p-system is normally assumed, particularly if theoretical calculations on analogous systems support this premise. However, there are many instances in which this bond length analysis proves the theoretical predictions to be erroneous.
More Information
*  Citation
 Box, Vernon G. S.; Yu, Hing Wan. J. Chem. Educ. 1997 74 1293.
*  Keywords
 Molecular Modeling/Dynamics, Computer Assisted Instruction, Bonding Theory, and Molecular Properties/Structure
*  History
 Created:
Last Updated:		 July 26, 1999
June 23, 2005
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