A Theoretical Study of C 4 B Isomers. The Interconversion of CCBCC and CCCCB via Cyclic C 4 B
β Scribed by McAnoy, Andrew M.; Bowie, John H.; Blanksby, Stephen J.
- Book ID
- 120492227
- Publisher
- American Chemical Society
- Year
- 2003
- Tongue
- English
- Weight
- 132 KB
- Volume
- 107
- Category
- Article
- ISSN
- 1089-5639
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Absfracfi Avemectin B la A44,4a ,2, has been obtained from avenneztin B la. 1, and its bioactivity evaluated. The key step of the transfommtion is the reduction of an intemxdiate allylic radical with aBu@nH. The avermectins are disaccharide derivatives of a structurally similar group of pentacyclic
Six stable isomers and two transition structures were characterized on the C3H,0+' potential energy surface using the G2 procedure. Heat capacity corrections were made to allow the direct calculation of heats of formation at 1298 K. The most stable isomer is the methylketene radical cation (1, AH, 2