Aromatic heterocycles XII. Semiempirical PM3 study of Diels-Alder cycloaddition reaction of substituted phosphabenzenes-Reference-Cited by-同舟云学术

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

Published:2004-03-01 Issue:1 Volume:2 Page:34-51
ISSN:2391-5420
Container-title:Open Chemistry
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Author:

Pacureanu Liliana¹,Mracec Mircea¹,Simon Zeno¹

Affiliation:

1. 1Institute of Chemistry of Romanian Academy, 24 Mihai Viteazul Avenue, 300223, Timisoara, Romania

Abstract

AbstractWe 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.

Publisher

Walter de Gruyter GmbH

Subject

Materials Chemistry,General Chemistry

Link

http://link.springer.com/content/pdf/10.2478/BF02476183.pdf

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