The hyperfine structure in the rotational spectra of bromofluoromethane: Lamb-dip technique and quantum-chemical calculations.

The hyperfine structure in the rotational spectra of six isotopic species of bromofluoromethane, namely CH279BrF, CH281BrF, CDH79BrF, CDH81BrF, CD279BrF and CD281BrF, has been investigated using the Lamb-dip technique in the submillimeter-wave frequency range. Measurements and assignment procedures were supported by high-level quantum-chemical calculations of the hyperfine parameters at the coupled-cluster level. For all species, the accuracy of the determined rotational and centrifugal distortion constants and the bromine quadrupole-coupling constants were improved with respect to available literature data, whereas the full bromine quadrupole-coupling tensor for the monodeuterated species and the bromine spin-rotation constants for all isotopologues were determined for the first time. [ABSTRACT FROM AUTHOR]