Intramolecular Carbolithiation of 2,6-Dilithio-1,6-heptadienes: An Experimental and Theoretical Study
✍ Scribed by Roberto Sanz; José M. Ignacio; Miguel A. Rodríguez; Francisco J. Fañanás; José Barluenga
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 240 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0947-6539
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Spectroscopic and theoretical studies of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane are presented. Molecular dynamics calculations were performed to scan the conformational space of the molecule. Density functional calculations were carried out on the stable conformers to obtain a better description of m
Experimental and theoretical studies of the title molecule were carried out to analyse its preferential conformation according to the usual energetic criteria and also examine its IR and Raman spectra. Molecular orbital calculations were performed via the semiempirical AM1 and PM3 methods and ab ini