A Kr-BrH global minimum structure determined on the basis of potential morphing

The nu(1), nu(1) + nu(2)(1), and nu(1) + 2nu(2)(0) rovibrational spectra of Kr-84:(HBr)-Br-79 and Kr-84:(HBr)-Br-81 are reported using high-frequency wavelength modulation near-infrared diode-laser continuous-wave (cw) supersonic-jet spectroscopy. This information has been combined with previously recorded results from a ground-state microwave analysis and used to determine a scaled and shifted morphed potential that is based on the transformation of an A initio potential in a nonlinear least-squares fit to the available experimental data. The morphed potential is consistent with a collinear Kr-BrH global minimum structure with R-cm = 3.88 Angstrom that is 23 +/- 3 cm(-1) more stable than the minimum associated with the collinear Kr-HBr isomeric form, which has R-cm = 4.27 Angstrom. Thus, the Kr:HBr system has a ground-vibrational-state isomeric structure that differs from the global minimum energy structure, a result that is similar to that found in the Ar:HBr dimer.