Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D(2)O with Normal-H(2)

We present a combined experimental and theoretical study on the rotationally inelastic scattering of heavy water, D(2)O, with normal-H(2). Crossed-molecular beam measurements are performed in the collision energy range between 10 and 100 cm(−1), corresponding to the near-threshold regime in which scattering resonances are most pronounced. State-to-state excitation cross-sections are obtained by probing three low-lying rotational levels of D(2)O using the REMPI technique. These measurements are complemented by quantum close-coupling scattering calculations based on a high-accuracy D(2)O–H(2) interaction potential. The agreement between experiment and theory is within the experimental error bars at 95% confidence intervals, leading to a relative difference of less than 7%: the near-threshold rise and the overall shape of the cross-sections, including small undulations due to resonances, are nicely reproduced by the calculations. Isotopic effects (D(2)O versus H(2)O) are also discussed by comparing the shape and magnitude of the respective cross-sections.