Microwave spectrum, structure, and nuclear quadrupole coupling constant tensor of isopropyl bromide and iodide

Abstract

The microwave spectra of isopropyl bromide and iodide and their isotopically substituted species were measured. The rotational constants, the coefficient D J of the first term of the quartic centrifugal distortion constants, and nonzero elements of the nuclear quadrupole coupling constant tensor were simultaneously determined from the observed frequencies of the multiplets. The r s structures of these molecules were determined from the observed moments of inertia. The principal nuclear quadrupole coupling constants in their own principal axes systems could be determined from the observed quadrupole coupling constants in the inertial principal axes system. By comparison of the results for isopropyl bromide and iodide with those of other analogous molecules, the structure and direction of the principal axes of the Ξ tensor were discussed.