Skip to main content
Log in

Symmetry rules for predicting the course of chemical reactions

  • Commentationes
  • Published:
Theoretica chimica acta Aims and scope Submit manuscript

Abstract

Rules are given for a reaction of any molecularity which show whether it is allowed or forbidden by orbital symmetry properties. The rules are based on a rigorous treatment, but correspond to simple concepts in practice. A rough MO sequence for the reactants is all that is needed.

Zusammenfassung

Für Reaktionen beliebiger Molekularität werden Regeln dafür angegeben, ob die Reaktion aus Symmetriegründen erlaubt oder verboten ist. Diese Regeln werden streng hergeleitet, sind jedoch in der Praxis einfach anwendbar. Benötigt wird lediglich die Reihenfolge der MO der Reaktionen.

Résumé

On donne des règles de sélection pour une réaction de molécularité arbitraire selon les propriétés de symétrie orbitale. Les règles sont basées sur un traitement rigoureux mais correspondent en practique à des concepts simples. On a seulement besoin de connaître l'ordre des orbitales moléculaires des réactants.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. Jahn, H. A., Teller, E.: Proc. Roy. Soc. (London) A161, 220 (1937)

    Google Scholar 

  2. Bader, R. F. W.: Molecular Physics3, 137 (1960).

    Google Scholar 

  3. Bader, R. F. W.: Canad. J. Chem.40, 1164 (1962).

    Google Scholar 

  4. Pearson, R. G.: J. Amer. chem. Soc.91, 1252, 4947 (1969).

    Google Scholar 

  5. Dewar, M. J. S.: J. Amer. chem. Soc.74, 3341 et seq., (1952);Klopman, G., Hudson, R. F.: Theoret. chim. Acta (Berl.)7, 165 (1967); Salem, L.: J. Amer. chem. Soc.90, 543, 553 (1968).

    Google Scholar 

  6. Fukui, K.: Bull. chem. Soc. Japan39, 498 (1966); Fukui, K., Fujimoto, H.: Bull. chem. Soc. Japan39, 2116 (1966).

    Google Scholar 

  7. Hoffmann, R., Woodward, R. B.: Acc. chem. Res.1, 17 (1968).

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

About this article

Cite this article

Pearson, R.G. Symmetry rules for predicting the course of chemical reactions. Theoret. Chim. Acta 16, 107–110 (1970). https://doi.org/10.1007/BF00572779

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00572779

Keywords

Navigation