Abstract
An experimental investigation of the microwave spectrum of 3-bromothiophene was carried out in the frequency region between 8.2 and 22.5 GHz. For the two isotopic species of the bromine atom, the a-type R-branch transitions in the ground vibrational state were assigned. It was found that the centrifugal distortion effect had to be taken into account to obtain a satisfactory fit of the observed rotational frequencies. The obtained rotational constants are in Megahertz: C 4H 3S 79Br C 4H 3S 81Br A 7105.11 (43) 7103.60 (44) B 933.111 (1) 922.998 (1) C 824.611 (1) 816.700 (1) The analysis of the quadrupole hyperfine structure allowed the determination of the following nuclear quadrupole coupling constants in megahertz for both species: C 4H 3S 79Br C 4H 3S 81Br χ aa 568.0 (11) 485.4 (11) χ bb −284.4 (23) −243.4 (24) χ cc −283.6 (25) −242.0 (26) | χ ab | 47 (29) 33 (28) In this case the first-order perturbation was dominant, but the second-order treatment was involved in the analysis because the bromine nucleus had a large quadrupole moment. Since the two sets of the rotational constants were insufficient to permit a determination of the precise structural parameters, the two parameters with the strongest dependence on the moments of inertia were obtained by using appropriate assumptions for the remaining parameters.
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