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Title: Diels−Alder Reactions of Acyclic 2-Azadienes: A Semiempirical Molecular Orbital Study
Authors: Melo, Teresa M. V. D. Pinho e 
Fausto, Rui 
Gonsalves, António M. d'A. Rocha 
Issue Date: 7-Aug-1998
Publisher: American Chemical Society
Citation: The Journal of Organic Chemistry. 63:16 (1998) 5350-5355
Abstract: Molecular orbital calculations (AM1) have been performed to obtain the frontier orbitals' (HOMO and LUMO) energies and polarization of a series of acyclic 2-azadienes. The results are used to rationalize the reactivity of the compounds studied with both electron-rich and electron-deficient dienophiles as well as the observed regioselectivity of the corresponding Diels−Alder reactions.
ISSN: 0022-3263
DOI: 10.1021/jo980090e
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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