Benzenoid series having a constant number of isomers. 2. Topological characteristics of strictly pericondensed constant-isomer benzenoid series
نویسنده
چکیده
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namensnennung 4.0 Lizenz. Topological Characteristics of Strictly Pericondensed Constant-Isomer Benzenoid Series
منابع مشابه
Topological Characteristics of Strictly Pericondensed Constant-Isomer Benzenoid Series
Using the formula periodic table for benzenoids (Table PAH6 = Table 1 in [4]) and the excised internal structure concept, several new strictly peri-condensed series possessing an identical number of isomers have been identified [5]. Strictly peri-condensed benzenoids have the property that the graph spanned by their internal carbon vertices (i.e., their excised internal structure) is connected....
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While briefly reviewing how the concepts of strictly pericondensed, strain-free, Clar's aromatic sextet, and symmetry are interconnected in the topological correspondence between strictly pericondensed and total resonant sextet (TRS) benzenoid hydrocarbons, new structural correlations in isomer numbers, symmetry distributions, and empty rings between various strain-free TRS benzenoids made up o...
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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 isome...
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Two empirical rules are formulated for the topological resonance energy (TRE) of benzenoid hydrocarbons: (a) TRE is roughly linear function of the number of Kekule structures, and (b) in a homologous series containing a linear polyacene fragment, TRE is a linear function of the length of this fragment. In certain cases, however, the TRE model leads to incorrect predictions. There exist pairs of...
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Polycyclic aromatic hydrocarbons that we previously called total resonant sextet (TRS) benzenoids are revisited within the framework of recent experimental findings. A benzenoid transformation called leapfrogging generates TRS benzenoids. There are 13, 30, and 114 TRS benzenoid isomers with formulas C72H26, C96H30, and C102H32, respectively. “The leapfrogs of benzenoids are 2-factorable” is a s...
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ورودعنوان ژورنال:
- Journal of Chemical Information and Computer Sciences
دوره 30 شماره
صفحات -
تاریخ انتشار 1990