Research output: Contribution to journal › Article › peer-review
Structural parameters of the cation [C(NPCl3)3] + in vacuum and in acetonitrile are calculated by the methods RHF/6-311G(3d6), RHF/6-31(3d5) and B3LYP/6-311(3d 5f7). Formation energy of the free adduct (MeCN) 2[C(NPCl3)3]+ is calculated and nonspecific character of interaction of the cation with liquid acetonitrile is established. Vibration spectrum of the cation is calculated and theoretical interpretation of IR and Raman spectra of the salt [C(NPCl3)3] +[SbCl6]- is refined.
| Original language | English |
|---|---|
| Pages (from-to) | 1703-1705 |
| Number of pages | 3 |
| Journal | Russian Journal of General Chemistry |
| Volume | 75 |
| Issue number | 11 |
| DOIs | |
| State | Published - 2005 |
ID: 13349815