Stability order of isomeric benzenoid hydrocarbons and Kekulé structure count | Zendy

Slavko Radenković | Zendy; Iván Gutman | Zendy

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Stability order of isomeric benzenoid hydrocarbons and Kekulé structure count

Author(s) -

Slavko Radenković,

Iván Gutman

Publication year - 2009

Publication title -

journal of the serbian chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.227

H-Index - 45

eISSN - 1820-7421

pISSN - 0352-5139

DOI - 10.2298/jsc0902155r

Subject(s) - chemistry , stability (learning theory) , order (exchange) , computational chemistry , combinatorics , mathematics , computer science , finance , machine learning , economics

The commonly accepted opinion that the thermodynamic stability of isomeric benzenoid hydrocarbons (assessed by their total π-electron energy and various resonance energies) increases with increasing number of Kekulé struc- tures is shown to be violated in numerous cases. The smallest examples of such anomalous behavior are two hexacyclic pericondensed benzenoids of formula C24H14 and several pairs of heptacyclic catacondensed benzenoids of formula C30H18.

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