Unpaired-electron localization and delocalization in macromolecules with a system of conjugated C=C bonds
β Scribed by Gordon, D. A.; Volodina, V. A.; Mikhailov, A. I.
- Book ID
- 121557598
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2014
- Tongue
- English
- Weight
- 270 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0018-1439
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π SIMILAR VOLUMES
Localization of double and triple bonds in linear conjugated enyne-acetates and alcohols can be achieved in microgram scale through a two-step reaction sequence: epoxidation followed by catalytic hydrogenation or deuteration. This derivatization yields a saturated secondary alcohol of RCHOH(CH2),0R'
The numerous accurate structural data of cobalamins now available allows us to optimize the geometry of these systems, based on a simplified model by using density functional theory (DFT) calculations. This approach, which reproduces the trend of the experimental distances derived from EXAFS and X-r