Comprehensive rotational spectroscopy of the newly identified atmospheric ozone depleter CF3CH2Cl

Abstract The pure rotational spectrum of CF 3 CH 2 Cl (1-choro-2,2,2-trifluoroethane, HCFC-133a) was investigated at 8–18 GHz in supersonic expansion with chirped pulse and cavity rotational spectroscopy, and at 94–309 GHz with broadband millimetre wave spectroscopy. Spectroscopic constants for the two principal isotopic species have been considerably updated from global fits over extensive data sets, numbering close to 3000 lines for the ground state of CF 3 CH 2 35 Cl and 1800 lines for CF 3 CH 2 37 Cl. Four different 13 C containing isotopologues have been assigned, as well as several new low lying vibrational states. The new measurements have been augmented with anharmonic force field calculations in an evaluation of the semi-experimental equilibrium geometry for CF 3 CH 2 Cl.