Gas-Phase Structure and Conformational Properties of 3,3,6,6-Tetramethyl-1,2,4,5-Tetroxane
β Scribed by Shlykov, Sergey A.; Giricheva, Nina I.; Eyler, Gladys N.; Oberhammer, Heinz
- Book ID
- 126092024
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 110 KB
- Volume
- 111
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
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
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