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Frontier oibitals

In frontier oibital terms, the regiochemistry is governed largely by the atomic orbital coefficients at the termini of the reaction pailners, which are tered by the substituents. Hence, in normal Diels-Alder reactions a diene substituent at C-1 has the tendency to direct the addition of a carbonyl-conjugated al-kene towards the ortho product (X), whereas a substituent at C-2 favors the para product (XI). The... [Pg.317]

Deward MIS (1989) A critique of frontier oibital theory. J Mol Stmct (Theochem) 200 301-323... [Pg.528]

Hoggan PE, Ruiz MB, Ozdogan T (2011) Molecular integrals over slater-type oibitals. From pioneers to recent progress. In Putz MV (ed) Quantum frontiers of atoms and molecules. Nova Publishing Inc., New York, pp 61-89... [Pg.116]

See other pages where Frontier oibitals is mentioned: [Pg.7]    [Pg.218]    [Pg.7]    [Pg.218]    [Pg.561]    [Pg.317]    [Pg.243]    [Pg.185]    [Pg.52]   
See also in sourсe #XX -- [ Pg.533 , Pg.534 , Pg.543 ]



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