A different story of benzene

Sason Shaik*, Avital Shurki, David Danovich, Philippe C. Hiberty

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

58 Scopus citations


The paper summarizes a collaborative research of the authors over more than a decade, as described by the speaker (S. Shaik) at the recent WATOC conference in Jerusalem during July 8-12, 1996. This is a story of the attempts of the authors to drive home the idea that the π-electronic component of benzene and other conjugated systems has a dual character. The π-component is, on the one hand, distortive along a localizing mode, and on the other hand, it is stabilized by resonance energy relative to a localized reference. The text of the paper is a modified transcript of the talk and as such, the paper conserves the active voice of the speaker S. Shaik and the personalized style of his talk.

Original languageAmerican English
Pages (from-to)155-167
Number of pages13
JournalJournal of Molecular Structure: THEOCHEM
StatePublished - 30 Jun 1997

Bibliographical note

Funding Information:
The manuscript has been written during the sabbatical leave of S. Shaik in The University of Rochester. The generous hospitality of J.P. Dinnocenzo is acknowledged. Adam Tuper (U. of Rochester) is the artist responsible for Fig. 1. The authorse xpressu tmosta ppreciationt o their collaborators throughout the years: Rony Bar (Israel) who participated in the research described in Ref. 131, Gilles Ohanessian and Jean-Michel Lefour (France) who participatedi n the researchd escribed in references [8,11 ,131 as well as many others not cited here. S.S. conveys special thanks to Yehuda Haas and Shmuel Zilberg for drawing his attention to the spectroscopyo f benzene.W ithout them, the research would have been narrowed down to a clan-science. This research was supported in part by the Volkswagen Stiftung. The Laboratoire de Chimie ThCorique is associatedw ith the CNRS, UA 506.


  • Allyl anion
  • Allyl radical
  • Aromaticity
  • Benzene
  • Cyclobutadiene
  • Isoelectronic series
  • Kekulé mode
  • Kekulé structure
  • Li clusters
  • Resonance energy
  • π-Distortivity


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