Aromatic heterocycles XII. Semiempirical PM3 study of Diels-Alder cycloaddition reaction of substituted phosphabenzenes

Abstract: We report the results of a semiempirical PM3 study of the 1,4 cycloaddition reaction of substituted λ3-phosphabenzenes with alkynes. The influence of the nature, position and steric hindrance of substituents on the reaction energy is studied. Except for some values, the results are in reasonable agreement with experimental observations and electronic effects of substituents.

Location
Deutsche Nationalbibliothek Frankfurt am Main
Extent
Online-Ressource
Language
Englisch

Bibliographic citation
Aromatic heterocycles XII. Semiempirical PM3 study of Diels-Alder cycloaddition reaction of substituted phosphabenzenes ; volume:2 ; number:1 ; year:2004 ; pages:34-51 ; extent:18
Open chemistry ; 2, Heft 1 (2004), 34-51 (gesamt 18)

Creator
Pacureanu, Liliana
Mracec, Mircea
Simon, Zeno

DOI
10.2478/BF02476183
URN
urn:nbn:de:101:1-2410171541106.694057760988
Rights
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
Last update
15.08.2025, 7:21 AM CEST

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Associated

  • Pacureanu, Liliana
  • Mracec, Mircea
  • Simon, Zeno

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