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

• Autorzy: Liliana Pacureanu , Mircea Mracec , Zeno Simon
• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

Diels-Alder cycloaddition reaction; λ3-phosphabenzene; 1-phosphabarrelene; semiempirical PM3 method

• Czasopismo: Open Chemistry
• Rocznik: 2004
• Tom: 2
• Numer: 1
• Strony: 34-51

Daty

wydano

2004-03-01

online

2004-03-01

Twórcy

autor

Liliana Pacureanu

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

autor

Mircea Mracec

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

autor

Zeno Simon

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

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Identyfikatory

DOI

10.2478/BF02476183