Electron-transfer mechanism for a hydride-transfer reaction: evidence for selective .alpha.-hydride abstraction from a transition metal alkyl
β Scribed by Hayes, Jeffrey C.; Cooper, N. John
- Book ID
- 126423256
- Publisher
- American Chemical Society
- Year
- 1982
- Tongue
- English
- Weight
- 379 KB
- Volume
- 104
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
Direct spectroscopic (EPR) evidence is presented to support a single electron transfer mechanism to describe the reactions of various simple and complex hydrides of the main group elements and dihydropyridyl metal complexes with aromatic nitrogen heterocyclic compounds.
The transition structure (TS) for the reaction of formate anion with the hydride acceptor cyclopropenyl cation (CP' ) has been calculated with analytical gradients at an ab initio MO SCF level. The saddle point characterizing the reaction in vacuum was calculated with two basis sets: an extended (9s