Anisotropic chemical shift of 59Co in K3Co (CN)6
✍ Scribed by J.A.J. Lourens; R. Swanepoel
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 167 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0038-1098
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📜 SIMILAR VOLUMES
Co triple-quantum (3Q) MAS and single-pulse MAS NMR spectra of K 3 Co(CN) 6 have been obtained at 14.1 T and used in a comparison of these methods for determination of small chemical shift anisotropies for spin I = 7/2 nuclei. From the 3QMAS NMR spectrum a spinning sideband manifold in the isotropic
## Abstract ^59^Co chemical shifts were computed at the GIAO‐B3LYP level for [Co(CN)~6~]^3−^, [Co(H~2~O)~6~]^3+^, [Co(NH~3~)~6~]^3+^, and [Co(CO)~4~]^−^ in water. The aqueous solutions were modeled by Car–Parrinello molecular dynamics (CPMD) simulations, or by propagation on a hybrid quantum‐mechan
## Abstract Cobalt‐59 NMR measurements were made on an aqueous solution of K~3~[Co(CN)~6~] with pressure as the main variable. We determined the effect of temperature and pressure (up to 5 kbar) on (i) the cobalt‐59 chemical shift, (ii) the carbon–cobalt‐59 isotope shift, (iii) the cobalt‐59–carbon