Theoretical study and vibrational spectroscopy of two 5,6,7-trioxygenated coumarins
✍ Scribed by Carlos A. Franca; Ana C. González Baró; Reinaldo Pis Diez
- Book ID
- 104058708
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 772 KB
- Volume
- 843
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
📜 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
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