Stereoselectivity and regioselectivity in Diels-Alder reactions studied by intermolecular perturbation theory
Publication
, Journal Article
Craig, SL; Stone, AJ
Published in: Journal of the Chemical Society, Faraday Transactions
December 1, 1994
Diels-Alder reactions of ethene, acrolein and acrylonitrile with butadiene and its 1-methyl, 2-methyl and 2-cyano derivatives have been studied by self-consistent field intermolecular perturbation theory. The procedure is successful in reproducing the stereochemical predictions of other theoretical techniques, and provides a way to analyse the contributions to the interaction energy and to gain theoretical insight into the effects responsible for stereoselectivity. It is less successful, however, in predicting regiochemical preferences for these reactions. Possible reasons for this are discussed.
Duke Scholars
Published In
Journal of the Chemical Society, Faraday Transactions
DOI
ISSN
0956-5000
Publication Date
December 1, 1994
Volume
90
Issue
12
Start / End Page
1663 / 1668
Related Subject Headings
- Chemical Physics
Citation
APA
Chicago
ICMJE
MLA
NLM
Craig, S. L., & Stone, A. J. (1994). Stereoselectivity and regioselectivity in Diels-Alder reactions studied by intermolecular perturbation theory. Journal of the Chemical Society, Faraday Transactions, 90(12), 1663–1668. https://doi.org/10.1039/FT9949001663
Craig, S. L., and A. J. Stone. “Stereoselectivity and regioselectivity in Diels-Alder reactions studied by intermolecular perturbation theory.” Journal of the Chemical Society, Faraday Transactions 90, no. 12 (December 1, 1994): 1663–68. https://doi.org/10.1039/FT9949001663.
Craig SL, Stone AJ. Stereoselectivity and regioselectivity in Diels-Alder reactions studied by intermolecular perturbation theory. Journal of the Chemical Society, Faraday Transactions. 1994 Dec 1;90(12):1663–8.
Craig, S. L., and A. J. Stone. “Stereoselectivity and regioselectivity in Diels-Alder reactions studied by intermolecular perturbation theory.” Journal of the Chemical Society, Faraday Transactions, vol. 90, no. 12, Dec. 1994, pp. 1663–68. Scopus, doi:10.1039/FT9949001663.
Craig SL, Stone AJ. Stereoselectivity and regioselectivity in Diels-Alder reactions studied by intermolecular perturbation theory. Journal of the Chemical Society, Faraday Transactions. 1994 Dec 1;90(12):1663–1668.
Published In
Journal of the Chemical Society, Faraday Transactions
DOI
ISSN
0956-5000
Publication Date
December 1, 1994
Volume
90
Issue
12
Start / End Page
1663 / 1668
Related Subject Headings
- Chemical Physics