The diperoxide 3,6-diphenyl-1,2,4,5-tetroxane was synthesized and its infrared and Raman spectra were measured. The structural stability and the vibrational spectra of 1,2,4,5-tetroxane and 3,6-diphenyl-1,2,4,5-tetroxane were investigated by the DFT-B3LYP and the ab initio MP2 calculations with the
✦ LIBER ✦
Structural and spectroscopic study of 3,6-dibutanoic-1,2,4,5-tetroxane
✍ Scribed by Romero, J. M.; Profeta, M. I.; Jorge, N. L.; Gómez-Vara, M. E.; Castro, E. A.; Jubert, A. H.
- Book ID
- 126712787
- Publisher
- Taylor and Francis Group
- Year
- 2005
- Tongue
- English
- Weight
- 159 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0892-7022
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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