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Here we report the results of an experimental and theoretical study of thegas-phase reactions between O($^1$D) and H$_2$O and O($^1$D) and D$_2$O at roomtemperature and below. On the experimental side, the kinetics of thesereactions have been investigated over the 50-127 K range using a continuousflow Laval nozzle apparatus, coupled with pulsed laser photolysis and pulsedlaser induced fluorescence for the production and detection of O($^1$D) atomsrespectively. Experiments were also performed at 296 K in the absence of aLaval nozzle. On the theoretical side, the existing full-dimensional groundX$^1$A potential energy surface for the H$_2$O$_2$ system involved in thisprocess has been reinvestigated and enhanced to provide a better description ofthe barrierless H-atom abstraction pathway. Based on this enhanced potentialenergy surface, quasiclassical trajectory calculations and ring polymermolecular dynamics simulations have been performed to obtain low temperaturerate constants. The measured and calculated rate constants display similarbehaviour above 100 K, showing little or no variation as a function oftemperature. Below 100 K, the experimental rate constants increasedramatically, in contrast to the essentially temperature independenttheoretical values. The possible origins of the divergence between experimentand theory at low temperatures are discussed.

Experimental and theoretical studies of the gas-phase reactions of O($^1$D) with H$_2$O and D$_2$O at low temperature