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.
Bast
Radovan
R
Department of Chemistry, University of Auckland, Private Bag 92019, Auckland, New Zealand.
Schwerdtfeger
Peter
P