The hyperfine structure in the rotational spectra of six isotopic species of bromofluoromethane, namely CH2(79)BrF, CH2(81)BrF, CDH(79)BrF, CDH(81)BrF, CD2(79)BrF and CD2(81)BrF, has been investigated using the Lambdip 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.
G. Cazzoli, C. Puzzarini, S. Stopkowicz, J. Gauss (2008). The hyperfine structure in the rotational spectra of bromofluoromethane isotopologues: Lamb-dip technique and quantum-chemical calculations. MOLECULAR PHYSICS, 106, 1181-1192 [10.1080/00268970802056052].
The hyperfine structure in the rotational spectra of bromofluoromethane isotopologues: Lamb-dip technique and quantum-chemical calculations
CAZZOLI, GABRIELE;PUZZARINI, CRISTINA;
2008
Abstract
The hyperfine structure in the rotational spectra of six isotopic species of bromofluoromethane, namely CH2(79)BrF, CH2(81)BrF, CDH(79)BrF, CDH(81)BrF, CD2(79)BrF and CD2(81)BrF, has been investigated using the Lambdip 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
