Multi-isotopologue analyses of new vibration–rotation and pure rotation spectra of ZnH and CdH

Abstract

High resolution infrared emission spectra of ZnH, ZnD, CdH, and CdD have been recorded with a Fourier transform spectrometer. The v = 1 → 0 and v = 2 → 1 bands of ZnH, ZnD, CdH, and CdD, as well as the v = 3 → 2 band of ZnD were observed for the X 2Σ + ground electronic state. In addition, new rotational spectra have been recorded for CdH and CdD using a tunable far-infrared spectrometer, and pure rotational transitions in the v = 1 level of the ground state were measured. The new data were combined with the previous data from diode laser infrared spectra and pure rotation spectra of ZnH/ZnD and CdH/CdD available in the literature. The data from all isotopologues were fitted together using a Dunham-type energy level expression for 2Σ + states, and Born–Oppenheimer breakdown correction parameters were obtained. The equilibrium rotational constants ( B e) of 64ZnH, 64ZnD, 114CdH, and 114CdD were determined to be 6.691332(17), 3.402156(7), 5.447074(18), and 2.750761(6) cm −1, respectively, and the associated equilibrium internuclear distances ( r e) are 1.593478(2), 1.593001(2), 1.760098(3), and 1.759695(2) Å, respectively. Simple reduced mass scaling for the spin–rotation interaction constants of ZnH and CdH fully accounted for their isotopologue dependence, and no Born–Oppenheimer breakdown correction was required for these parameters.