7Li and 23Na MAS solid state NMR studies of Na4C60 and Li4C60
✍ Scribed by T. Wågberg; D. Johnels
- Book ID
- 108191232
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 253 KB
- Volume
- 67
- Category
- Article
- ISSN
- 0022-3697
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📜 SIMILAR VOLUMES
Intermediate neglect of differential overlap INDO method was used to Ž . study the structures and the electronic spectra of C M M s Li, Na, Be . The 60 12 Ž . calculations indicate that in the minimal energy configuration of C M M s Li, Na 60 12 the C cage still retains I symmetry and the 12 Li or N
is slightly deeper than in Na+...CO. The minimum corresponding to CO...Lic is deeper than in Li+...CO. The 13C. "0 . 23Na and 'Li NMR shielding tensors were computed with the coupled Hartree-Fock method with large gussian basis sets.
## Abstract ^7^Li and ^13^C solid‐state magic angle spinning NMR spectra were measured for three benzyllithium systems, α‐(phenylthio)benzyllithium, α‐phenyl‐α‐lithiodithiane and α‐(trimethylsilyl)benzyllithium, stabilized by different ligands (THF, PMDTA, TMEDA, [12]crown‐4). They were analyzed wi