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https://hdl.handle.net/10316/10286| 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. | URI: | https://hdl.handle.net/10316/10286 | ISSN: | 0022-3263 | DOI: | 10.1021/jo980090e | Rights: | openAccess |
| Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| Diels-Alder Reactions of Acyclic 2-Azadienes.pdf | 92.88 kB | Adobe PDF | View/Open |
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