Partitioning of π-Electrons in Rings for Clar Structures of Benzenoid Hydrocarbons

2006 ◽  
Vol 46 (1) ◽  
pp. 57-64 ◽  
Author(s):  
Milan Randić ◽  
Alexandru T. Balaban
Keyword(s):  
Benzenoid Hydrocarbons ◽  
Clar Structures

Topological Properties of Circumcoronenes

1998 ◽  
Vol 53 (8) ◽  
pp. 699-703 ◽  
Author(s):  
Ivan Gutman ◽  
Sven J. Cyvina ◽  
Vesna Ivanov-Petrović
Keyword(s):  
Regular Hexagon ◽  
Topological Properties ◽  
Benzenoid Hydrocarbons ◽  
Spectral Moments ◽  
Energy Effect ◽  
Cyclic Conjugation ◽  
Clar Structures ◽  
First Time ◽  
Structural Invariants

Abstract The regular-hexagon-shaped benzenoid hydrocarbons: B1 = benzene (C6H6), B2 = coronene (C24H12), B3 = circumcoronene (C54H18), B4 = circumcircumcoronene (C150H30), etc. possess unique topological properties. General expressions for the most important of such properties (number of fun-damental structural invariants, number of Kekule and Clar structures, number of aromatic sextets, Wiener and Szeged indices, spectral moments) are given, including a number of results that are communicated here for the first time. Cyclic conjugation in circumcoronenes is analyzed by means of its energy-effect, and found to agree with the predictions of Clar's aromatic sextet theory only in the case of B1 and B2.

π-Electron Currents Induced in Polycyclic Benzenoid Hydrocarbons and Their Relationship to Clar Structures

2003 ◽  
Vol 107 (51) ◽  
pp. 11553-11557 ◽  
Author(s):  
Jun-ichi Aihara
Keyword(s):  
Benzenoid Hydrocarbons ◽  
Clar Structures

π-Electron Partitions, Signatures, and Clar Structures of Selected Benzenoid Hydrocarbons

2008 ◽  
Vol 112 (17) ◽  
pp. 4148-4157 ◽  
Author(s):  
Alexandru T. Balaban ◽  
Matevž Pompe ◽  
Milan Randić
Keyword(s):  
Benzenoid Hydrocarbons ◽  
Clar Structures

Partitioning of π-Electrons in Rings for Clar Structures of Benzenoid Hydrocarbons.

ChemInform ◽  
2006 ◽  
Vol 37 (16) ◽  
Author(s):  
Milan Randic ◽  
Alexandru T. Balaban
Keyword(s):  
Benzenoid Hydrocarbons ◽  
Clar Structures

scholarly journals On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function

Symmetry ◽  
2010 ◽  
Vol 2 (3) ◽  
pp. 1653-1682 ◽  
Author(s):  
Jun Zhu ◽  
Christian Dahlstrand ◽  
Joshua R. Smith ◽  
Sébastien Villaume ◽  
Henrik Ottosson
Keyword(s):  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function ◽  
Clar Structures

The conjugated-circuit model: The optimum parameters for benzenoid hydrocarbons

1991 ◽  
Vol 8 (1) ◽  
pp. 113-120 ◽  
Author(s):  
D. Plavšić ◽  
S. Nikolić ◽  
N. Trinajstć
Keyword(s):  
Circuit Model ◽  
Benzenoid Hydrocarbons ◽  
Optimum Parameters

ChemInform Abstract: Separation of the Energetic and Geometric Contribution to Aromaticity. Part 10. The Case of Benzene Rings in Fused Polycyclic Benzenoid Hydrocarbons.

ChemInform ◽  
2010 ◽  
Vol 30 (12) ◽  
pp. no-no
Author(s):  
Michael K. Cyranski ◽  
Tadeusz M. Krygowski
Keyword(s):  
Benzenoid Hydrocarbons ◽  
Benzene Rings
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