Back to Search
Start Over
Fourier transform IR spectra and structure of 2-substituted 1-nitro- and 1-bromo-1-nitroethenes
- Source :
- Russian Journal of General Chemistry. 77:2130-2139
- Publication Year :
- 2007
- Publisher :
- Pleiades Publishing Ltd, 2007.
-
Abstract
- Molecular structure and vibrational spectra of 2-trichloromethyl(ethoxycarbonyl)-1-nitroethenes and 2-trichloromethyl(ethoxycarbonyl)-1-bromo-1-nitroethenes were calculated in terms of the density functional theory (B3LYP/6-31G*). The experimental FTIR spectra of these compounds in the range from 4000 to 400 cm−1 were interpreted in detail on the basis of the calculation data. 2-Substituted 1-nitro- and 1-bromo-1-nitroethenes were assigned the structure with trans orientation of the nitro and trichloromethyl (or ethoxycarbonyl) groups, and the ethoxycarbonyl derivatives were assumed to exist in equilibrium between s-cis and s-trans conformers.
Details
- ISSN :
- 16083350 and 10703632
- Volume :
- 77
- Database :
- OpenAIRE
- Journal :
- Russian Journal of General Chemistry
- Accession number :
- edsair.doi...........f20119796657de777f51c85d5e989a7e