✦ LIBER ✦

Ab initio study of the effect of CH ··· O hydrogen bonding on the exo/endo stereoselectivity of Diels-Alder reactions of 2-substituted-1,3-dienes with sulfur dioxide

✍ Scribed by D. Suárez; R. López; J. González; T. L. Sordo; J. A. Sordo

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 402 KB
Volume: 57
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1996)57:3<493::aid-qua23>3.0.co;2-3

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✦ Synopsis

Ab initio calcdations at the MP2/6-31G*//HF/3-21G* level have been carried out to study Eels-Alder reactions of 2-substituted-1,3-dienes with s u l h dioxide. The CH ... 0 electrostatic interaction detected in some of the transition structures located could be decisive in the control of the exo/endo stereoselectivity of this type of reaction. 0