Semiempirical (PM3) and ab initio (RHF/3-21G) transition structures for 1,3-dipolar cycloadditions of 5 different dipoles to alkenes were analyzed; the differences in 1,3-dipole charge distribution offer a rationale for the different stereoselectivities experimentally observed in the reactions with chiral allyl ethers.
ELECTROSTATIC EFFECTS IN 1,3-DIPOLAR CYCLOADDITION REACTIONS TO CHIRAL ALLYL ETHERS - A RATIONALE FOR THE EXPERIMENTALLY OBSERVED DIASTEREOSELECTIVITIES / R. ANNUNZIATA, M. BENAGLIA, M. CINQUINI, L. RAIMONDI. - In: TETRAHEDRON. - ISSN 0040-4020. - 49:38(1993), pp. 8629-8636. [10.1016/S0040-4020(01)96268-4]
ELECTROSTATIC EFFECTS IN 1,3-DIPOLAR CYCLOADDITION REACTIONS TO CHIRAL ALLYL ETHERS - A RATIONALE FOR THE EXPERIMENTALLY OBSERVED DIASTEREOSELECTIVITIES
R. AnnunziataPrimo
;M. BenagliaSecondo
;M. CinquiniPenultimo
;L. RaimondiUltimo
1993
Abstract
Semiempirical (PM3) and ab initio (RHF/3-21G) transition structures for 1,3-dipolar cycloadditions of 5 different dipoles to alkenes were analyzed; the differences in 1,3-dipole charge distribution offer a rationale for the different stereoselectivities experimentally observed in the reactions with chiral allyl ethers.
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