| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394222 | Computational and Theoretical Chemistry | 2013 | 8 Pages |
Abstract
⺠5-Difluoromethyl-1,3,4 thiadiazole-2-amino was studied by DFT calculations. ⺠The structural and topological properties were studied by NBO and AIM analyses. ⺠An agreement between theoretical and available experimental NMR results was found. ⺠The experimental infrared spectrum of the compound was completely assigned. ⺠The results were then used to predict the Raman spectra of the amine and imine forms.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Elida Romano, MarÃa Florencia Ladetto, Silvia Antonia Brandán,