The microwave spectrum and 35Cl nuclear quadrupole coupling in chlorotrifluoroethylene

Abstract

The microwave spectrum of F 2CCF 35Cl was observed in the 8–26 GHz frequency range. The rotational constants are (MHz): A = 4506.05 ± 0.02; B = 2268.66 ± 0.02; and C = 1508.09 ± 0.01. The 35Cl quadrupole coupling constants along the appropriate inertial axes are (MHz): χ aa = −50.10 ± 0.10; χ bb = +11.36 ± 0.10; and χ cc = +38.74 ± 0.20. The 35Cl quadrupole coupling constants in H 2CCF 35Cl were remeasured and a structure was proposed for this molecule. The coupling constants are (MHz): χ aa = −73.04 ± 0.10; χ bb = +38.60 ± 0.10; and χ cc = +34.44 ± 0.20. The coupling constants in both molecules were transformed into the principal field gradient axis systems and compared with quadrupole coupling constants in similar molecules.