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Molecules of Theoretical Interest

  • Leo A. Paquette
  • Annette M. Doherty
Part of the Reactivity and Structure Concepts in Organic Chemistry book series (REACTIVITY, volume 26)

Abstract

The effects of electron-donating substituents on the bond alternations in pentalene have been evaluated by using the Pariser-Parr-Pople-type SCF MO CI method in conjunction with a variable bond-length technique [257]. A valence bond treatment of aromaticity, first introduced by Mulder and Oosterhoff, has now been applied to pentalene [258]. MNDO, UMDDO, and MNDO/CI calculations have also been reported for pentalene [259].

Keywords

Maleic Anhydride Theoretical Interest Dimethyl Acetylenedicarboxylate Bond Alternation Versus Molecule 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1987

Authors and Affiliations

  • Leo A. Paquette
    • 1
  • Annette M. Doherty
    • 1
  1. 1.Evans Chemical LaboratoriesThe Ohio State UniversityColumbusUSA

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