Total π-electron energy of phenylenes: Bounds and approximate expressions

I. Gutman, Ž Tomović

Research output: Contribution to journalArticleAcademicpeer-review

7 Citations (Scopus)

Abstract

The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.

Original languageEnglish
Pages (from-to)1023-1029
Number of pages7
JournalMonatshefte fur Chemie
Volume132
Issue number9
DOIs
Publication statusPublished - 1 Jan 2001
Externally publishedYes

Keywords

  • Chemical graph theory
  • Phenylenes
  • Total π-electron energy

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