The pure rotational spectrum of ScBr

Abstract

The pure rotational spectra of Sc⁷⁹Br and Sc⁸¹Br have been measured in two vibrational states (v=0 and 1) in the 5–24 GHz spectral region, using a cavity pulsed jet Fourier transform microwave spectrometer. The samples were prepared by ablating Sc metal in the presence of Br₂ contained in the Ar backing gas of the jet. The equilibrium internuclear distance r_e has been determined along with estimates for the harmonic vibration frequency ω_e and the dissociation energy, D_e. Nuclear quadrupole coupling constants and spin–rotation constants have been determined for both Sc and Br. The ionic character of the ScBr bond is estimated to be ∽95%. Magnetic shieldings for both nuclei have been estimated.