Vibronic Ground State Rotational Spectrum of 3-Bromothiophene

Abstract

The rotational spectrum of 3-bromothiophene was investigated in the frequency range between 8 and 18 GHz by use of a microwave Fourier transform spectrometer. Both a- and b-type spectra were assigned for the vibronic ground state. Rotational constants, quartic centrifugal distortion constants and quadrupole coupling constants were obtained for the 79 Br- and 81 Br-isotopic species. For the analysis, the effective rotational Hamiltonian including centrifugal distortion in the form of Van Eijck's symmetric top reduction and bromine quadrupole coupling was set up in the coupled basis of the limiting symmetric top, J, K, I, F, M F >, and was diagonalized numerically. Spin rotation interaction was neglected