Abstract
Dewar's recent definition of resonance energy (1) for hydrocarbons is extended to molecules containing oxygen, and resonance energy values are calculated from experimental heats of formation for a variety of conjugated organic compounds. A simple additivity scheme is proposed whereby resonance energies and heats of formation can be accurately estimated for benzenoid systems.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
25 articles.
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1. MO-LCAO-Berechnungen an (N„1)”︁-Polymethinen;Zeitschrift für Chemie;2010-09-01
2. Aromaticity: A new Multilinear Approach;Bulletin des Sociétés Chimiques Belges;2010-09-01
3. Bibliography;Molecular Descriptors for Chemoinformatics;2009-07-15
4. Aromaticidade: evolução histórica do conceito e critérios quantitativos;Química Nova;2009
5. On the Cycle-Dependence of Topological Resonance Energy;Journal of Chemical Information and Modeling;2007-03-09