Infrared, Raman and force field studies of methyl- and perdeuteriomethyl-mercury(II) halides

Abstract

Complete assignment of the vibrational fundamentals of CH₃HgX and CD₃HgX (X = Cl, Br or I) in solution has been achieved. Vibrational spectra of the solids have been recorded and strong correlation field splitting between the infrared and Raman active modes observed. Factor group analysis has been used, in conjunction with orientated crystal studies, to derive vibrational assignments. It is concluded that whilst the D⁷_4h space group allows all vibrations of the chloride and bromide to be accounted for it does not completely account for the Raman spectrum of the iodide.

The solution data have been used for force field studies.