Isomer enumeration of nonradical strictly peri-condensed polycyclic aromatic hydrocarbons
نویسنده
چکیده
JERRY RAY DIAS. Can. J. Chem. 62, 2914 (1984). A new concept for isomer enumeration of peri-condensed benzenoid hydrocarbons (PAH6) based on the enumeration of their excised internal structures is presented. Formulas corresponding only to strictly peri-condensed benzenoid hydrocarbons can be identified from a previously derived Formula Periodic Table for PAH6. The number of benzenoid PAH6 isomers having formulas C38H16, CmHI6, C42H16, C48H18, CSOH18, C52H18, C ~ H Z O , C~ZHZO, and C ~ H Z O are 10, 3, 1, 22, 7 , 2, 20, 12, and 3, respectively (Fig. 1). A nomenclature for these PAH6s based on an already established nomenclature for their corresponding small-molecule, excised internal structures is proposed. The structure counts of these PAHs, being related to their resonance energy, have been determined, and this will permit researchers to estimate the most probable structures of the macromolecular benzenoid hydrocarbons of this class formed via pyrolytic processes.
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