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

Department of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

1 Citation (Scopus)

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. © 1986.

Original language	English
Pages (from-to)	39-46
Journal	Journal of Molecular Catalysis
Volume	35
Issue number	1
DOIs	https://doi.org/10.1016/0304-5102(86)85055-6
Publication status	Published - 1 Jan 1986

Access to Document

10.1016/0304-5102(86)85055-6

Fingerprint Dive into the research topics of 'The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study'. Together they form a unique fingerprint.

Cite this

Branchadell, V., Oliva, A., & Bertrán, J. (1986). The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study. Journal of Molecular Catalysis, 35(1), 39-46. https://doi.org/10.1016/0304-5102(86)85055-6

@article{f527f17f8c184e238223e28c5e0136a1,

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",

year = "1986",

month = jan,

day = "1",

doi = "10.1016/0304-5102(86)85055-6",

language = "English",

volume = "35",

pages = "39--46",

journal = "Journal of Molecular Catalysis",

issn = "0304-5102",

publisher = "Elsevier BV",

number = "1",

}

TY - JOUR

T1 - The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study

AU - Branchadell, V.

AU - Oliva, A.

AU - Bertrán, J.

PY - 1986/1/1

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.

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

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

M3 - Article

VL - 35

SP - 39

EP - 46

JO - Journal of Molecular Catalysis

JF - Journal of Molecular Catalysis

SN - 0304-5102

IS - 1

ER -