The EFG at Hg and Cd for isolated molecules in frozen solution

In order to obtain quantitative information about the changes of the EFG in closed-shell metal-organic molecules by the interactions with an inert matrix, two cases, dimethylmercury and dimethylcadmium, were measured using ^199mHg and ^111mCd PAC, respectively, in frozen diethyl ether and tetrahydrofuran. With the knowledge of high-accuracy nuclear quadrupole moments and available precision EFG values from quantum chemistry CCSD-T calculations the expected NQI frequencies of the free molecules are available and can be compared to the ones measured in the frozen solutions.