Abstract
AbstractMitchell and co‐workers recently estimated the order of aromaticity for dimethyldihydropyrene (DDP) nuclei in annelated derivatives using nucleus‐independent chemical shifts (NICS). We found that two graph‐theoretically defined energetic quantities, percentage topological resonance energy (% TRE) and bond resonance energy (BRE), can be used to predict readily the relative aromaticities of these hydrocarbons and their DDP nuclei, respectively. Since these quantities are not dependent on the areas of individual rings, they are better suited for estimating the degree of aromaticity. Copyright © 2004 John Wiley & Sons, Ltd.
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