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
Journal Article
·
· International Journal of Quantum Chemistry
- Universidad de Oviedo (Spain); and others
Ab initio calculations at the MP2/6-31G*//HF/3-21G* level have been carried out to study Diels-Alder reactions of 2-substituted-1,3-dienes with sulfur dioxide. The CH ... O 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. 13 refs., 5 figs., 2 tabs.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 274108
- Report Number(s):
- CONF-9406151--
- Journal Information:
- International Journal of Quantum Chemistry, Journal Name: International Journal of Quantum Chemistry Journal Issue: 3 Vol. 57; ISSN IJQCB2; ISSN 0020-7608
- Country of Publication:
- United States
- Language:
- English
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