Side-chain rotational processes in pentaethylated benzenes

Hugo E. Gottlieb, Caroline Ben-Ari, Alfred Hassner, Vered Marks

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


The barriers for conformational exchange processes in pentaethylbenzenes C6Et5R (R = H, Br, COCH3, OCOCH3 and OCOPh) were determined by NMR lineshape analysis; for the latter three substances these processes include both the stepwise rotation of the ethyl groups and the 180°reorientation of the side-chain R. The experimental barriers were compared to those calculated by molecular mechanics (MM3). These results have implications in the long- standing argument about the barrier of ethyl group rotation in hexaethylbenzene (R = Et) and some of its metal complexes.

Original languageEnglish
Pages (from-to)4003-4014
Number of pages12
Issue number13
StatePublished - 26 Mar 1999


  • Benzenes
  • Conformation
  • Molecular mechanics
  • NMR


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