Parity-violation effects in the C-F stretching mode of heavy-atom methyl fluorides

Relativistic four-component electronic structure calculations including parity-odd electroweak interactions give unprecedented large energy differences of 158 mHz for PH3AuCHFCl and 219 mHz for ClHgCHFCl for the C-F stretching mode of the corresponding enantiomeric compounds. This signifies a considerable improvement over previous predictions for chiral methyl compounds of the form CHXYZ (X, Y, Z=F, Cl, Br, or I). These organometallic compounds are therefore ideal for future high resolution spectroscopy experiments.