The ¹³C Chemical Shift of the ipso Carbon Atom in Phenyllithium

Phenyllithium was labeled with 6 Li and 13 C 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 6 Li 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 Δ E term in s̀.