On the Geometry Dependence of the NMR Chemical Shift of Mercury in Thiolate Complexes: A Relativistic DFT Study

Haide Wu, Lars Hemmingsen, Stephan P. A. Sauer

Thiolate containing mercury(II) complexes of the general formula [Hg(SR)${}_n$]${}^{2-n}$ have been of great interest since the toxicity of mercury was recognized. ${}^{199}$Hg nuclear m…