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delocalizationdelocalization in theoretical organic chemistry

delocalization energy (DE)

The difference between the actual π-electron energy of a molecular entity and the π-electron energy of a hypothetical species with a localized form of the π-electron system. These energies are normally evaluated within Hückel molecular orbital theory.
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1933
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Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2012-08-19; version: 2.3.2.
DOI of this term: doi:10.1351/goldbook.DT07020.
Original PDF version: http://www.iupac.org/goldbook/DT07020.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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