The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study

V. Branchadell; A. Oliva; J. Bertrán

doi:10.1016/0304-5102(86)85055-6

The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study

V. Branchadell, A. Oliva, J. Bertrán

Departamento de Química

Producción científica: Contribución a una revista › Artículo › Investigación › revisión exhaustiva

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Resumen

The role of proton transfer in the mechanism of Diels-Alder reactions of acrolein with 1-hydroxybutadiene and 1-methylbutadiene catalyzed by NH4+ is theoretically studied by means of the MINDO/3 method. It is found that the catalyst strengthens the asynchronous formation of the two new C-C bonds. In the catalyzed reaction these bonds are formed in two clearly differentiated steps, through a stable intermediate, in which there is a total proton transfer from the catalyst to the dienophile. © 1986.

Idioma original	Inglés
Páginas (desde-hasta)	39-46
Publicación	Journal of Molecular Catalysis
Volumen	35
N.º	1
DOI	https://doi.org/10.1016/0304-5102(86)85055-6
Estado	Publicada - 1 ene 1986

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title = "The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study",

abstract = "The role of proton transfer in the mechanism of Diels-Alder reactions of acrolein with 1-hydroxybutadiene and 1-methylbutadiene catalyzed by NH4+ is theoretically studied by means of the MINDO/3 method. It is found that the catalyst strengthens the asynchronous formation of the two new C-C bonds. In the catalyzed reaction these bonds are formed in two clearly differentiated steps, through a stable intermediate, in which there is a total proton transfer from the catalyst to the dienophile. {\textcopyright} 1986.",

author = "V. Branchadell and A. Oliva and J. Bertr{\'a}n",

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AU - Branchadell, V.

AU - Oliva, A.

AU - Bertrán, J.

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Y1 - 1986/1/1

N2 - The role of proton transfer in the mechanism of Diels-Alder reactions of acrolein with 1-hydroxybutadiene and 1-methylbutadiene catalyzed by NH4+ is theoretically studied by means of the MINDO/3 method. It is found that the catalyst strengthens the asynchronous formation of the two new C-C bonds. In the catalyzed reaction these bonds are formed in two clearly differentiated steps, through a stable intermediate, in which there is a total proton transfer from the catalyst to the dienophile. © 1986.

AB - The role of proton transfer in the mechanism of Diels-Alder reactions of acrolein with 1-hydroxybutadiene and 1-methylbutadiene catalyzed by NH4+ is theoretically studied by means of the MINDO/3 method. It is found that the catalyst strengthens the asynchronous formation of the two new C-C bonds. In the catalyzed reaction these bonds are formed in two clearly differentiated steps, through a stable intermediate, in which there is a total proton transfer from the catalyst to the dienophile. © 1986.

UR - https://www.scopus.com/pages/publications/0022693308

U2 - 10.1016/0304-5102(86)85055-6

DO - 10.1016/0304-5102(86)85055-6

M3 - Article

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EP - 46

JO - Journal of Molecular Catalysis

JF - Journal of Molecular Catalysis

IS - 1

ER -

The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study

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Huella

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