Application of the effective vibration-rotation hamiltonian to H2and D2

Abstract

The effective vibration-rotation hamiltonian developed by Bunker and Moss in the preceding paper is applied to H₂ and D₂. We have fitted this hamiltonian to the experimental vibration-rotation energy levels of the ground electronic state of D₂ by adjusting the parameters μ_v and μ_r. In doing this we found that we could achieve a satisfactory fit (standard deviation < 0·1 cm^-1) by adjusting only the one parameter μ_v and fixing μ_r as equal to the nuclear reduced mass μ. Using the isotopic dependence of μ_v given by Bunker and Moss we have used μ_v (D₂) to calculate μ_r (H₂) and have used that value of μ_v, with μ_r = μ, to predict the vibration-rotation energy levels of H₂ in its ground electronic state. More consistent experimental values for these energies than presently available are being determined in experiments under way in this laboratory, and they will test these predictions.