DIBROMINE MONOXIDE, BR2O - THE ROTATIONAL SPECTRUM AND MOLECULAR-PROPERTIES

The rotational spectra of (Br2O)-Br-79, (BrOBr)-Br-79-Br-81, and (Br2O )-Br-81 in their ground vibrational states as well as (BrOBr)-Br-79-Br -81 in its v(2)=1 state have been studied in selected regions between 90 and 523 Transitions involving a large range of quantum numbers, 6 l ess than or equal to J less than or equal to 123 and 0 less than or eq ual to K-a less than or equal to 12, have been observed permitting pre cise rotational and a large set of centrifugal distortion constants to be determined. All isotopic species as well as the excited state data were fit simultaneously. Ground-state effective and average structura l parameters as well as an estimate of the equilibrium structure have been derived. The quartic distortion constants were used for a calcula tion of the harmonic force field. The complete quadrupole tensor has b een determined. Its diagonalization reveals a largely covalent BrO bon d with little pi-bonding. The derived properties of Br2O an compared w ith those of related compounds such as Cl2O, HOBr, and HOCl. (C) 1997 American Institute of Physics.