Electron content of rings of fully benzenoid hydrocarbons
نویسندگان
چکیده
منابع مشابه
On the π-Electron Content of Rings in Benzenoid Parallelograms
We make use of the classical correspondence between Kekulé structures and lattice paths to obtain explicit formulas for the Pauling bond order of edges in benzenoid parallelograms. These formulas are further used to establish the average π-electron content of hexagonal rings in such benzenoids. We then compare this quantity with the atom-based π-electron content of rings, and study the local an...
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We consider a family of structurally closely related fully-benzenoid hydrocarbons of increasing number of fused benzene rings. Local and global aromatic properties of such molecules are investigated with a particular interest in investigating the role of the finite size of such molecules in modelling the high-polymer or even graphite. An interesting alternation of local properties for benzene r...
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A structure-descriptor EE, recently proposed by Estrada, is examined. If λ1, λ2, . . . ,λn are the eigenvalues of the molecular graph, then EE = n ∑ i=1 eλi . In the case of benzenoid hydrocarbons with n carbon atoms and m carbon-carbon bonds, EE is found to be accurately approximated by means of the formula a1 n cosh (√ 2m/n ) +a2, where a1 ≈ 1.098 and a2 =−0.64 are empirically determined fitt...
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Kekulé structures belong to the classical concepts of theoretical chemistry of polycyclic conjugated molecules and, in particular, of benzenoid hydrocarbons [1 – 3]. Nevertheless, it was only quite recently recognized [4] that in addition to the standard representation of a Kekulé structure (in which the locations of the double bonds are indicated), also an “algebraic” representation is possibl...
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Graphene has been found to be an attractive material since its discovery in 2004 and has drawn enormous interest among researchers owing to its intrinsic electronic and magnetic properties. An indefinitely large graphene sheet, if cut along the two edge directions, can generate two distinct, well-defined small graphene nanoribbons (GNRs), which may be classified into “zigzag” edge (1, transpoly...
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ژورنال
عنوان ژورنال: Journal of the Serbian Chemical Society
سال: 2005
ISSN: 0352-5139,1820-7421
DOI: 10.2298/jsc0510199g