Theoretical studies of SN2 transition states. Substituent effects
نویسندگان
چکیده
منابع مشابه
Theoretical Studies of the Oxy Anionic Substituent Effect
Employing ab initio generalized valence bond and configuration interaction theoretical methods, we calculated C-H bond energies for H3COH, H3CONa, H3COK, and H3COleading to bond energies (at 0 K) of 90.7 (the experimental value is 9 1.8 f 1.2), 80.6, 79.0, and 74.2 kcal/mol, respectively. This dramatic decrease in the adjacent bond strength due to an oxy substituent helps explain the oxy anioni...
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The stereodivergent ring-opening of 2-phenyl oxazaphospholidines with alkyl lithium reagents is reported. N-H oxazaphospholidines derived from both (+)-cis-1-amino-2-indanol and (-)-norephedrine provide inversion products in a highly stereoselective process. In contrast, N-Me oxazaphospholidines yield ring-opening products with retention of configuration at the P center, as previously reported ...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1982
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v82-190