SINDO1 calculations are performed to study solvation effects on simple intra-and intermolecular reactions. The polarizable continuum model is implemented efficiently with isodensity surfaces. It is demonstrated for the tautomerization of 3-hydroxypyrazole and the Menshutkin reaction that the inclusi
REACTIONS OF LITHIUM WITH BENZALDEHYDE IN SOLUTION
β Scribed by N. S. Nudelman; Sara Mendiara
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 157 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0894-3230
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β¦ Synopsis
Benzaldehyde in THF reacts with lithium metal to give the expected reduction product, benzyl alcohol, plus benzoin and benzyl as minor products. The kinetics of the overall reaction as well as the partial rate coefficients of the several steps have been determined under various reaction conditions. It was found that adsorption on the surface and electron transfer from the lithium to benzaldehyde are the slow steps. The experimental results show interesting surface effects, and evidence for significant radical intermediates, which were characterized by their epr spectra and trapping experiments, results useful to gain insight into the mechanisms of these and other related reactions.
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