Calculation of "Dewar" resonance energies in conjugated organic molecules
نویسندگان
چکیده
منابع مشابه
Bond dissociation energies of organic molecules.
In this Account we have compiled a list of reliable bond energies that are based on a set of critically evaluated experiments. A brief description of the three most important experimental techniques for measuring bond energies is provided. We demonstrate how these experimental data can be applied to yield the heats of formation of organic radicals and the bond enthalpies of more than 100 repres...
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The dependence of the Dewar resonance energy (DRE) on the Kekulé structure count (K) was found to be significantly different from that earlier anticipated. Within classes of benzenoid isomers, the DRE increases either as K for 0.3 or as (ln K) for 2. Both functional dependencies result in approximate expressions for DRE of nearly equal accuracy. Approximations of the form DRE a K + b and DRE a'...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1969
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v69-585