Theoretical anharmonic Raman and infrared spectra with vibrational assignments and NBO analysis for 2,3,4,5,6-pentafluoroaniline
β Scribed by Wojciechowski, Piotr
- Book ID
- 121527639
- Publisher
- Elsevier Science
- Year
- 2013
- Tongue
- English
- Weight
- 627 KB
- Volume
- 154
- Category
- Article
- ISSN
- 0022-1139
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The vibrational properties of the diphenylbismuth(II1) chloride compounds (C,H,),BiCI and [N(CH,),]'[(C,H,),BiC12]-have been investigated. A comprehensive assignment of the fundamental modes in the measured Fourier-transform Raman and infrared spectra has been carried out. Normal coordinate calculat
## Abstract The derivatives of 2,5βdipicrylβ1,3,4βoxadiazole (DPO) were optimized to obtain their molecular geometries and electronic structures at the DFTβB3LYP/6β31G^\*^ level. Their IR spectra were obtained and assigned by vibrational analysis. Compared with the experimental results, all the cal