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The13C Chemical Shift of theipso Carbon Atom in Phenyllithium

✍ Scribed by Berger, Stefan ;Fleischer, Ulrich ;Geletneky, Christian ;Lohrenz, John C. W.

Publisher
Wiley (John Wiley & Sons)
Year
1995
Tongue
English
Weight
415 KB
Volume
128
Category
Article
ISSN
0009-2940

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✦ Synopsis

Phenyllithium was labeled with 6Li and I3C at the ipso carbon atom, and the tetramer was measured by solid-state NMR. The chemical shift tensor data were obtained by a moment analysis of the spinning side bands and were compared with the results obtained by calculations with the IGLO method. Although no splitting by dipolar spin coupling to 6Li was found the very good agreement between IGLO predictions and experimental results allowed alignment of the tensor axis to the molecular frame and interpretation of the data. The large deshielding of the isotropic chemical shift is mainly due to a decrease of the AE term in GP.

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