The cation complexation model performs better than the hydride model and is at par with the transition state model at the HF/6-31G\* and B3LYP/6-31G\* levels. Electrostatic effects that rely on the residual charges on C5 and C6 of the title substrate and that are believed to contribute to the overal
✦ LIBER ✦
The tricyclo[2.1.0.02,5]pentan-3-one system: a new probe for the study of π-facial selectivity in nucleophilic additions
✍ Scribed by Goverdhan Mehta; S.Robindro Singh; U.Deva Priyakumar; G.Narahari Sastry
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- French
- Weight
- 151 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0040-4039
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The remotely substituted 5-exo-bicyclo[2.1.1]hexan-2-one system is introduced as a new probe to study long range electronic effects on p-face selectivity during hydride reduction and a systematic computational study demonstrates good predictability at the semi-empirical level.