Experimental and Theoretical ab I nitio Study of the 13 C− 13 C Spin−Spin Coupling and 1 H and 13 C Shielding Tensors in Ethane, Ethene, and Ethyne
✍ Scribed by Kaski, Jaakko; Lantto, Perttu; Vaara, Juha; Jokisaari, Jukka
- Book ID
- 121305641
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 137 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Trifluoromethane (CHF 3 ) has been studied using 1 H, 13 C and 19 F NMR spectra in the gas phase at 300 K. For the first time all the spin-spin couplings and 13 C shielding of CHF 3 were measured as functions of density. After extrapolation to the zero-density limit the appropriate shielding ( 1 H,
The anisotropies, Atr, of the ]H and 13C nuclear shielding tensors of chloroform were determined experimentally and theoretically. The liquid crystal NMR ENEMIX method gives Ao" c = --51.8 to --51.4 ppm in excellent agreement with ab initio GIAO SCF/MCSCF calculations resulting in -51 ppm, preferrin