COMMENTS CONCERNING THE COMPUTATION OF CD-113 CHEMICAL-SHIFTS

We have examined the Cd-113 chemical shift difference between dimethyl- and diethylcadmium from both an experimental and a theoretical perspective. Further, we have determined the chemical shift difference in the gas phase, in which diethylcadmium is more shielded than dimethylcadmium by 142.6 ppm. In contrast to other reported calculations, we demonstrate that these chemical shifts cannot be calculated quantitatively. The reasons for this lack of quantitation are discussed.